5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C22H20F2N6O — CID 168773574

IUPAC5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnn2ccc(-c3c[nH]c4nc(C5CC5)ncc34)cc12)C1CC(F)(F)C1
InChIInChI=1S/C22H20F2N6O/c1-29(14-7-22(23,24)8-14)21(31)17-11-27-30-5-4-13(6-18(17)30)15-9-26-20-16(15)10-25-19(28-20)12-2-3-12/h4-6,9-12,14H,2-3,7-8H2,1H3,(H,25,26,28)
InChIKeyJZYJLGIKUMFZES-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.02
Rot. Bonds4

About 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 168773574) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID168773574
Molecular FormulaC22H20F2N6O
Molecular Weight422.44 g/mol
Exact Mass422.17
IUPAC Name5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnn2ccc(-c3c[nH]c4nc(C5CC5)ncc34)cc12)C1CC(F)(F)C1
InChIInChI=1S/C22H20F2N6O/c1-29(14-7-22(23,24)8-14)21(31)17-11-27-30-5-4-13(6-18(17)30)15-9-26-20-16(15)10-25-19(28-20)12-2-3-12/h4-6,9-12,14H,2-3,7-8H2,1H3,(H,25,26,28)
InChIKeyJZYJLGIKUMFZES-UHFFFAOYSA-N
XLogP4.02
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773533
5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773647
N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773621
5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175879498
N-(4-methoxycyclohexyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168774063
N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168772563
5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175879534
piperidin-1-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 168772513
N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773337
6-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 168773499
N-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168774056
[5-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 168773776

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 168773574) is 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CN(C(=O)c1cnn2ccc(-c3c[nH]c4nc(C5CC5)ncc34)cc12)C1CC(F)(F)C1.
What is the InChIKey of 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JZYJLGIKUMFZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O/c1-29(14-7-22(23,24)8-14)21(31)17-11-27-30-5-4-13(6-18(17)30)15-9-26-20-16(15)10-25-19(28-20)12-2-3-12/h4-6,9-12,14H,2-3,7-8H2,1H3,(H,25,26,28).
What are the key properties of 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 168773574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).