5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20FN7O — CID 142523547

IUPAC5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC3F)cnn12
InChIInChI=1S/C21H20FN7O/c1-23-18-8-16(14-10-28(11-4-5-11)19-12(14)3-2-6-24-19)26-20-13(9-25-29(18)20)21(30)27-17-7-15(17)22/h2-3,6,8-11,15,17,23H,4-5,7H2,1H3,(H,27,30)
InChIKeyISNMRWBCXWREAB-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.96
Rot. Bonds5

About 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142523547) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142523547
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC3F)cnn12
InChIInChI=1S/C21H20FN7O/c1-23-18-8-16(14-10-28(11-4-5-11)19-12(14)3-2-6-24-19)26-20-13(9-25-29(18)20)21(30)27-17-7-15(17)22/h2-3,6,8-11,15,17,23H,4-5,7H2,1H3,(H,27,30)
InChIKeyISNMRWBCXWREAB-UHFFFAOYSA-N
XLogP2.96
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560459
5-[1-[(3S,4S)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486185
N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559208
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-[(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
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-[(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
5-[1-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559253
N-(2-hydroxycyclobutyl)-7-(methylamino)-5-[1-[(3S)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560269
N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449810
5-[1-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167595034

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142523547) is 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC3F)cnn12.
What is the InChIKey of 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ISNMRWBCXWREAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-23-18-8-16(14-10-28(11-4-5-11)19-12(14)3-2-6-24-19)26-20-13(9-25-29(18)20)21(30)27-17-7-15(17)22/h2-3,6,8-11,15,17,23H,4-5,7H2,1H3,(H,27,30).
What are the key properties of 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 405.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142523547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).