5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C124H163F2N37O18 — CID 159413364

IUPAC5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCCN(CCF)C3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CNc1cc(Nc2cccn([C@@H]3CCC[C@@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(Nc2cccn([C@@H]3CCN(CCF)C3)c2=O)nc2c(C(=O)NC3CCC3OC)cnn12.CNc1cc(Nc2cccn([C@H]3CCCC[C@H]3OC)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(Nc2cccn([C@H]3CCC[C@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C25H33FN8O3.3C25H33N7O4.C24H31FN8O3/c1-27-22-13-21(31-23-17(14-28-34(22)23)24(35)30-18-7-8-20(18)37-2)29-19-6-4-11-33(25(19)36)16-5-3-10-32(15-16)12-9-26;2*1-26-22-13-21(28-19-8-5-11-31(25(19)34)15-6-4-7-16(12-15)35-2)30-23-17(14-27-32(22)23)24(33)29-18-9-10-20(18)36-3;1-26-22-13-21(28-17-7-6-12-31(25(17)34)18-8-4-5-9-20(18)36-3)30-23-15(14-27-32(22)23)24(33)29-16-10-11-19(16)35-2;1-26-21-12-20(28-18-4-3-9-32(24(18)35)15-7-10-31(14-15)11-8-25)30-22-16(13-27-33(21)22)23(34)29-17-5-6-19(17)36-2/h4,6,11,13-14,16,18,20,27H,3,5,7-10,12,15H2,1-2H3,(H,29,31)(H,30,35);2*5,8,11,13-16,18,20,26H,4,6-7,9-10,12H2,1-3H3,(H,28,30)(H,29,33);6-7,12-14,16,18-20,26H,4-5,8-11H2,1-3H3,(H,28,30)(H,29,33);3-4,9,12-13,15,17,19,26H,5-8,10-11,14H2,1-2H3,(H,28,30)(H,29,34)/t16-,18-,20-;15-,16-,18+,20+;15-,16-,18-,20-;16-,18-,19-,20+;15-,17?,19?/m11001/s1
InChIKeyLOVYABBPMVRFJI-WEOPUMDRSA-N
MW2497.90 g/mol
LogP12.13
Rot. Bonds42

About 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159413364) has the molecular formula C124H163F2N37O18 and a molecular weight of 2497.90 g/mol. Its IUPAC name is 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159413364
Molecular FormulaC124H163F2N37O18
Molecular Weight2497.90 g/mol
Exact Mass2496.29
IUPAC Name5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCCN(CCF)C3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CNc1cc(Nc2cccn([C@@H]3CCC[C@@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(Nc2cccn([C@@H]3CCN(CCF)C3)c2=O)nc2c(C(=O)NC3CCC3OC)cnn12.CNc1cc(Nc2cccn([C@H]3CCCC[C@H]3OC)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(Nc2cccn([C@H]3CCC[C@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C25H33FN8O3.3C25H33N7O4.C24H31FN8O3/c1-27-22-13-21(31-23-17(14-28-34(22)23)24(35)30-18-7-8-20(18)37-2)29-19-6-4-11-33(25(19)36)16-5-3-10-32(15-16)12-9-26;2*1-26-22-13-21(28-19-8-5-11-31(25(19)34)15-6-4-7-16(12-15)35-2)30-23-17(14-27-32(22)23)24(33)29-18-9-10-20(18)36-3;1-26-22-13-21(28-17-7-6-12-31(25(17)34)18-8-4-5-9-20(18)36-3)30-23-15(14-27-32(22)23)24(33)29-16-10-11-19(16)35-2;1-26-21-12-20(28-18-4-3-9-32(24(18)35)15-7-10-31(14-15)11-8-25)30-22-16(13-27-33(21)22)23(34)29-17-5-6-19(17)36-2/h4,6,11,13-14,16,18,20,27H,3,5,7-10,12,15H2,1-2H3,(H,29,31)(H,30,35);2*5,8,11,13-16,18,20,26H,4,6-7,9-10,12H2,1-3H3,(H,28,30)(H,29,33);6-7,12-14,16,18-20,26H,4-5,8-11H2,1-3H3,(H,28,30)(H,29,33);3-4,9,12-13,15,17,19,26H,5-8,10-11,14H2,1-2H3,(H,28,30)(H,29,34)/t16-,18-,20-;15-,16-,18+,20+;15-,16-,18-,20-;16-,18-,19-,20+;15-,17?,19?/m11001/s1
InChIKeyLOVYABBPMVRFJI-WEOPUMDRSA-N
XLogP12.13
TPSA607.07 Ų
H-Bond Donors15
H-Bond Acceptors50
Rotatable Bonds42
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002497.90
LogP ≤ 512.13
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1050

Analyze 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159413364) is 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CCCN(CCF)C3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CNc1cc(Nc2cccn([C@@H]3CCC[C@@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(Nc2cccn([C@@H]3CCN(CCF)C3)c2=O)nc2c(C(=O)NC3CCC3OC)cnn12.CNc1cc(Nc2cccn([C@H]3CCCC[C@H]3OC)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(Nc2cccn([C@H]3CCC[C@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LOVYABBPMVRFJI-WEOPUMDRSA-N. The full InChI is InChI=1S/C25H33FN8O3.3C25H33N7O4.C24H31FN8O3/c1-27-22-13-21(31-23-17(14-28-34(22)23)24(35)30-18-7-8-20(18)37-2)29-19-6-4-11-33(25(19)36)16-5-3-10-32(15-16)12-9-26;2*1-26-22-13-21(28-19-8-5-11-31(25(19)34)15-6-4-7-16(12-15)35-2)30-23-17(14-27-32(22)23)24(33)29-18-9-10-20(18)36-3;1-26-22-13-21(28-17-7-6-12-31(25(17)34)18-8-4-5-9-20(18)36-3)30-23-15(14-27-32(22)23)24(33)29-16-10-11-19(16)35-2;1-26-21-12-20(28-18-4-3-9-32(24(18)35)15-7-10-31(14-15)11-8-25)30-22-16(13-27-33(21)22)23(34)29-17-5-6-19(17)36-2/h4,6,11,13-14,16,18,20,27H,3,5,7-10,12,15H2,1-2H3,(H,29,31)(H,30,35);2*5,8,11,13-16,18,20,26H,4,6-7,9-10,12H2,1-3H3,(H,28,30)(H,29,33);6-7,12-14,16,18-20,26H,4-5,8-11H2,1-3H3,(H,28,30)(H,29,33);3-4,9,12-13,15,17,19,26H,5-8,10-11,14H2,1-2H3,(H,28,30)(H,29,34)/t16-,18-,20-;15-,16-,18+,20+;15-,16-,18-,20-;16-,18-,19-,20+;15-,17?,19?/m11001/s1.
What are the key properties of 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2497.90 g/mol, XLogP of 12.13, 42 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,2R)-2-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159413364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).