4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide

C34H33F2N7O2 — CID 156828941

IUPAC4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(F)cc1-c1ccc2cc(-c3nn4cc(C(=O)N5CC6CCC5[C@@H]6N)cc(F)c4c3C)n(CC3CC3)c2n1
InChIInChI=1S/C34H33F2N7O2/c1-16-9-23(32(38)44)24(35)12-22(16)26-7-5-19-11-28(41(33(19)39-26)13-18-3-4-18)30-17(2)31-25(36)10-21(15-43(31)40-30)34(45)42-14-20-6-8-27(42)29(20)37/h5,7,9-12,15,18,20,27,29H,3-4,6,8,13-14,37H2,1-2H3,(H2,38,44)/t20?,27?,29-/m1/s1
InChIKeyWECRGBCZCZYRJF-ZSTYLACZSA-N
MW609.68 g/mol
LogP4.98
Rot. Bonds6

About 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide

4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide (PubChem CID 156828941) has the molecular formula C34H33F2N7O2 and a molecular weight of 609.68 g/mol. Its IUPAC name is 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound Name4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide
PubChem CID156828941
Molecular FormulaC34H33F2N7O2
Molecular Weight609.68 g/mol
Exact Mass609.27
IUPAC Name4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(F)cc1-c1ccc2cc(-c3nn4cc(C(=O)N5CC6CCC5[C@@H]6N)cc(F)c4c3C)n(CC3CC3)c2n1
InChIInChI=1S/C34H33F2N7O2/c1-16-9-23(32(38)44)24(35)12-22(16)26-7-5-19-11-28(41(33(19)39-26)13-18-3-4-18)30-17(2)31-25(36)10-21(15-43(31)40-30)34(45)42-14-20-6-8-27(42)29(20)37/h5,7,9-12,15,18,20,27,29H,3-4,6,8,13-14,37H2,1-2H3,(H2,38,44)/t20?,27?,29-/m1/s1
InChIKeyWECRGBCZCZYRJF-ZSTYLACZSA-N
XLogP4.98
TPSA124.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.68
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide with MolForge

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Related Compounds

N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-4-[[4-(1-propylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 155599246
5-[2-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-3H-isoindol-1-one
CID 154700581
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383718
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383816
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
CID 168281629
5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 169551943
5-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 169551973
N-(6-(1-(1-(2-aminoacetyl)piperidin-4-yl)-2-cyclopropyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 90246264
8-[[2-Fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
CID 122609212
US10695334, Example 13
CID 146392292
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-5-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169552007
N-[6-[3-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 169552015

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide?
The IUPAC name of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide (CID 156828941) is 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide is Cc1cc(C(N)=O)c(F)cc1-c1ccc2cc(-c3nn4cc(C(=O)N5CC6CCC5[C@@H]6N)cc(F)c4c3C)n(CC3CC3)c2n1.
What is the InChIKey of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide?
The InChIKey is WECRGBCZCZYRJF-ZSTYLACZSA-N. The full InChI is InChI=1S/C34H33F2N7O2/c1-16-9-23(32(38)44)24(35)12-22(16)26-7-5-19-11-28(41(33(19)39-26)13-18-3-4-18)30-17(2)31-25(36)10-21(15-43(31)40-30)34(45)42-14-20-6-8-27(42)29(20)37/h5,7,9-12,15,18,20,27,29H,3-4,6,8,13-14,37H2,1-2H3,(H2,38,44)/t20?,27?,29-/m1/s1.
What are the key properties of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide?
4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide has a molecular weight of 609.68 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 156828941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).