3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)

C100H134N28O15 — CID 158181917

IUPAC3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)
SMILESCNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(CN[C@@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/3C25H33N7O4.C25H35N7O3/c3*1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33;1-25(35-3)10-8-17(9-11-25)31-12-4-5-19(24(31)34)29-21-13-22(26-2)32-23(30-21)16(15-28-32)14-27-18-6-7-20(18)33/h3*4-5,12-15,17,19,26,33H,6-11H2,1-3H3,(H,28,30)(H,29,34);4-5,12-13,15,17-18,20,26-27,33H,6-11,14H2,1-3H3,(H,29,30)/t2*15?,17?,19-,25?;15?,17-,19+,25?;17?,18-,20+,25?/m1101/s1
InChIKeyFYRSPCWLWFROCK-CONDNAAGSA-N
MW1968.35 g/mol
LogP10.16
Rot. Bonds29

About 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)

3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide) (PubChem CID 158181917) has the molecular formula C100H134N28O15 and a molecular weight of 1968.35 g/mol. Its IUPAC name is 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide).

Molecular Properties

Compound Name3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)
PubChem CID158181917
Molecular FormulaC100H134N28O15
Molecular Weight1968.35 g/mol
Exact Mass1967.06
IUPAC Name3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)
SMILESCNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(CN[C@@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/3C25H33N7O4.C25H35N7O3/c3*1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33;1-25(35-3)10-8-17(9-11-25)31-12-4-5-19(24(31)34)29-21-13-22(26-2)32-23(30-21)16(15-28-32)14-27-18-6-7-20(18)33/h3*4-5,12-15,17,19,26,33H,6-11H2,1-3H3,(H,28,30)(H,29,34);4-5,12-13,15,17-18,20,26-27,33H,6-11,14H2,1-3H3,(H,29,30)/t2*15?,17?,19-,25?;15?,17-,19+,25?;17?,18-,20+,25?/m1101/s1
InChIKeyFYRSPCWLWFROCK-CONDNAAGSA-N
XLogP10.16
TPSA522.17 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds29
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001968.35
LogP ≤ 510.16
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

Analyze 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450076
5-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142524002
N-(2-hydroxycyclobutyl)-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 139425648
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559137
5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559146
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383343
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450124
5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450055
N-[(2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450029
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-2,3-dihydro-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383340
5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486334
5-[[1-[(1S,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449245

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)?
The IUPAC name of 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide) (CID 158181917) is 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide).
What is the SMILES notation for 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)?
The canonical SMILES for 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide) is CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(CN[C@@H]3CC[C@@H]3O)cnn12.
What is the InChIKey of 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)?
The InChIKey is FYRSPCWLWFROCK-CONDNAAGSA-N. The full InChI is InChI=1S/3C25H33N7O4.C25H35N7O3/c3*1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33;1-25(35-3)10-8-17(9-11-25)31-12-4-5-19(24(31)34)29-21-13-22(26-2)32-23(30-21)16(15-28-32)14-27-18-6-7-20(18)33/h3*4-5,12-15,17,19,26,33H,6-11H2,1-3H3,(H,28,30)(H,29,34);4-5,12-13,15,17-18,20,26-27,33H,6-11,14H2,1-3H3,(H,29,30)/t2*15?,17?,19-,25?;15?,17-,19+,25?;17?,18-,20+,25?/m1101/s1.
What are the key properties of 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)?
3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide) has a molecular weight of 1968.35 g/mol, XLogP of 10.16, 29 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide) is sourced from PubChem (CID 158181917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).