N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane

C64H73N21O6 — CID 158326547

IUPACN-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
SMILESC.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3C[C@H]3O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@@H]3O)cnn12
InChIInChI=1S/3C21H23N7O2.CH4/c3*1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29;/h3*4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30);1H4/t16?,17-;2*16-,17-;/m110./s1
InChIKeyGPMAJLMNNYKDPF-KNGZEXAXSA-N
MW1232.43 g/mol
LogP7.33
Rot. Bonds15

About N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane

N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane (PubChem CID 158326547) has the molecular formula C64H73N21O6 and a molecular weight of 1232.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
PubChem CID158326547
Molecular FormulaC64H73N21O6
Molecular Weight1232.43 g/mol
Exact Mass1231.61
IUPAC NameN-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
SMILESC.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3C[C@H]3O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@@H]3O)cnn12
InChIInChI=1S/3C21H23N7O2.CH4/c3*1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29;/h3*4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30);1H4/t16?,17-;2*16-,17-;/m110./s1
InChIKeyGPMAJLMNNYKDPF-KNGZEXAXSA-N
XLogP7.33
TPSA328.11 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001232.43
LogP ≤ 57.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane with MolForge

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Related Compounds

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CID 157107243
N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157107242
N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560243
5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167644010
5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523547
N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569673
5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167593714
5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569541
N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560456
N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560438
N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139390475
N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572553

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane (CID 158326547) is N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane is C.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3C[C@H]3O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@@H]3O)cnn12.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?
The InChIKey is GPMAJLMNNYKDPF-KNGZEXAXSA-N. The full InChI is InChI=1S/3C21H23N7O2.CH4/c3*1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29;/h3*4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30);1H4/t16?,17-;2*16-,17-;/m110./s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?
N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane has a molecular weight of 1232.43 g/mol, XLogP of 7.33, 15 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane is sourced from PubChem (CID 158326547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).