tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C64H81N21O14 — CID 157386256

IUPACtert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC[C@H]3O)cnn12.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC[C@H]3O)c2n1.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1.N[C@H]1CC[C@H]1O
InChIInChI=1S/C23H29N7O5.C19H22N6O5.C18H21N7O3.C4H9NO/c1-23(2,3)35-22(33)29(4)18-11-17(26-15-7-6-10-24-21(15)34-5)28-19-13(12-25-30(18)19)20(32)27-14-8-9-16(14)31;1-19(2,3)30-18(28)24(4)14-9-13(22-12-7-6-8-20-16(12)29-5)23-15-11(17(26)27)10-21-25(14)15;1-19-15-8-14(22-12-4-3-7-20-18(12)28-2)24-16-10(9-21-25(15)16)17(27)23-11-5-6-13(11)26;5-3-1-2-4(3)6/h6-7,10-12,14,16,31H,8-9H2,1-5H3,(H,26,28)(H,27,32);6-10H,1-5H3,(H,22,23)(H,26,27);3-4,7-9,11,13,19,26H,5-6H2,1-2H3,(H,22,24)(H,23,27);3-4,6H,1-2,5H2/t14?,16-;;11?,13-;3-,4+/m1.10/s1
InChIKeyBLLURWSIKLWONL-XOFRCGLZSA-N
MW1368.48 g/mol
LogP6.09
Rot. Bonds17

About tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 157386256) has the molecular formula C64H81N21O14 and a molecular weight of 1368.48 g/mol. Its IUPAC name is tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Nametert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID157386256
Molecular FormulaC64H81N21O14
Molecular Weight1368.48 g/mol
Exact Mass1367.63
IUPAC Nametert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC[C@H]3O)cnn12.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC[C@H]3O)c2n1.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1.N[C@H]1CC[C@H]1O
InChIInChI=1S/C23H29N7O5.C19H22N6O5.C18H21N7O3.C4H9NO/c1-23(2,3)35-22(33)29(4)18-11-17(26-15-7-6-10-24-21(15)34-5)28-19-13(12-25-30(18)19)20(32)27-14-8-9-16(14)31;1-19(2,3)30-18(28)24(4)14-9-13(22-12-7-6-8-20-16(12)29-5)23-15-11(17(26)27)10-21-25(14)15;1-19-15-8-14(22-12-4-3-7-20-18(12)28-2)24-16-10(9-21-25(15)16)17(27)23-11-5-6-13(11)26;5-3-1-2-4(3)6/h6-7,10-12,14,16,31H,8-9H2,1-5H3,(H,26,28)(H,27,32);6-10H,1-5H3,(H,22,23)(H,26,27);3-4,7-9,11,13,19,26H,5-6H2,1-2H3,(H,22,24)(H,23,27);3-4,6H,1-2,5H2/t14?,16-;;11?,13-;3-,4+/m1.10/s1
InChIKeyBLLURWSIKLWONL-XOFRCGLZSA-N
XLogP6.09
TPSA446.34 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds17
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001368.48
LogP ≤ 56.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

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Related Compounds

5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441372
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441403
N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441428
N-[(1R,2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441473
N-(2-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441497
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441543
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449157
N-[(1S,2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449169
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449171
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449704
N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449831
N-[(3S,4S)-4-hydroxyoxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449833

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 157386256) is tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC[C@H]3O)cnn12.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC[C@H]3O)c2n1.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1.N[C@H]1CC[C@H]1O.
What is the InChIKey of tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is BLLURWSIKLWONL-XOFRCGLZSA-N. The full InChI is InChI=1S/C23H29N7O5.C19H22N6O5.C18H21N7O3.C4H9NO/c1-23(2,3)35-22(33)29(4)18-11-17(26-15-7-6-10-24-21(15)34-5)28-19-13(12-25-30(18)19)20(32)27-14-8-9-16(14)31;1-19(2,3)30-18(28)24(4)14-9-13(22-12-7-6-8-20-16(12)29-5)23-15-11(17(26)27)10-21-25(14)15;1-19-15-8-14(22-12-4-3-7-20-18(12)28-2)24-16-10(9-21-25(15)16)17(27)23-11-5-6-13(11)26;5-3-1-2-4(3)6/h6-7,10-12,14,16,31H,8-9H2,1-5H3,(H,26,28)(H,27,32);6-10H,1-5H3,(H,22,23)(H,26,27);3-4,7-9,11,13,19,26H,5-6H2,1-2H3,(H,22,24)(H,23,27);3-4,6H,1-2,5H2/t14?,16-;;11?,13-;3-,4+/m1.10/s1.
What are the key properties of tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 1368.48 g/mol, XLogP of 6.09, 17 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 157386256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).