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

C35H35FN6O2 — CID 156829671

IUPAC4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide
SMILESCc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)ccc5c4C)n(CC4CC4)c3c2)c(F)cc1C(N)=O
InChIInChI=1S/C35H35FN6O2/c1-18-11-26(27(36)14-25(18)34(38)43)21-5-6-22-13-31(40(30(22)12-21)15-20-3-4-20)33-19(2)28-9-8-24(17-42(28)39-33)35(44)41-16-23-7-10-29(41)32(23)37/h5-6,8-9,11-14,17,20,23,29,32H,3-4,7,10,15-16,37H2,1-2H3,(H2,38,43)/t23?,29?,32-/m1/s1
InChIKeyKJVLZPNVCLCLST-KFHGAJFOSA-N
MW590.70 g/mol
LogP5.45
Rot. Bonds6

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

4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide (PubChem CID 156829671) has the molecular formula C35H35FN6O2 and a molecular weight of 590.70 g/mol. Its IUPAC name is 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound Name4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide
PubChem CID156829671
Molecular FormulaC35H35FN6O2
Molecular Weight590.70 g/mol
Exact Mass590.28
IUPAC Name4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide
SMILESCc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)ccc5c4C)n(CC4CC4)c3c2)c(F)cc1C(N)=O
InChIInChI=1S/C35H35FN6O2/c1-18-11-26(27(36)14-25(18)34(38)43)21-5-6-22-13-31(40(30(22)12-21)15-20-3-4-20)33-19(2)28-9-8-24(17-42(28)39-33)35(44)41-16-23-7-10-29(41)32(23)37/h5-6,8-9,11-14,17,20,23,29,32H,3-4,7,10,15-16,37H2,1-2H3,(H2,38,43)/t23?,29?,32-/m1/s1
InChIKeyKJVLZPNVCLCLST-KFHGAJFOSA-N
XLogP5.45
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.70
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide (CID 156829671) is 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide is Cc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)ccc5c4C)n(CC4CC4)c3c2)c(F)cc1C(N)=O.
What is the InChIKey of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is KJVLZPNVCLCLST-KFHGAJFOSA-N. The full InChI is InChI=1S/C35H35FN6O2/c1-18-11-26(27(36)14-25(18)34(38)43)21-5-6-22-13-31(40(30(22)12-21)15-20-3-4-20)33-19(2)28-9-8-24(17-42(28)39-33)35(44)41-16-23-7-10-29(41)32(23)37/h5-6,8-9,11-14,17,20,23,29,32H,3-4,7,10,15-16,37H2,1-2H3,(H2,38,43)/t23?,29?,32-/m1/s1.
What are the key properties of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide?
4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 590.70 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 156829671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).