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)indol-6-yl]-3-chlorobenzamide

C34H32ClFN6O2 — CID 156828756

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)indol-6-yl]-3-chlorobenzamide
SMILESCc1c(-c2cc3ccc(-c4ccc(C(N)=O)cc4Cl)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C34H32ClFN6O2/c1-17-31(39-42-16-23(11-26(36)32(17)42)34(44)41-15-22-7-9-27(41)30(22)37)29-13-20-5-4-19(12-28(20)40(29)14-18-2-3-18)24-8-6-21(33(38)43)10-25(24)35/h4-6,8,10-13,16,18,22,27,30H,2-3,7,9,14-15,37H2,1H3,(H2,38,43)/t22?,27?,30-/m1/s1
InChIKeyUDHDMBBBCVHZOQ-STHVYQTBSA-N
MW611.12 g/mol
LogP5.79
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)indol-6-yl]-3-chlorobenzamide

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)indol-6-yl]-3-chlorobenzamide (PubChem CID 156828756) has the molecular formula C34H32ClFN6O2 and a molecular weight of 611.12 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)indol-6-yl]-3-chlorobenzamide.

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)indol-6-yl]-3-chlorobenzamide
PubChem CID156828756
Molecular FormulaC34H32ClFN6O2
Molecular Weight611.12 g/mol
Exact Mass610.23
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)indol-6-yl]-3-chlorobenzamide
SMILESCc1c(-c2cc3ccc(-c4ccc(C(N)=O)cc4Cl)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C34H32ClFN6O2/c1-17-31(39-42-16-23(11-26(36)32(17)42)34(44)41-15-22-7-9-27(41)30(22)37)29-13-20-5-4-19(12-28(20)40(29)14-18-2-3-18)24-8-6-21(33(38)43)10-25(24)35/h4-6,8,10-13,16,18,22,27,30H,2-3,7,9,14-15,37H2,1H3,(H2,38,43)/t22?,27?,30-/m1/s1
InChIKeyUDHDMBBBCVHZOQ-STHVYQTBSA-N
XLogP5.79
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.12
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)indol-6-yl]-3-chlorobenzamide 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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide?
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)indol-6-yl]-3-chlorobenzamide (CID 156828756) 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)indol-6-yl]-3-chlorobenzamide.
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)indol-6-yl]-3-chlorobenzamide?
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)indol-6-yl]-3-chlorobenzamide is Cc1c(-c2cc3ccc(-c4ccc(C(N)=O)cc4Cl)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12.
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)indol-6-yl]-3-chlorobenzamide?
The InChIKey is UDHDMBBBCVHZOQ-STHVYQTBSA-N. The full InChI is InChI=1S/C34H32ClFN6O2/c1-17-31(39-42-16-23(11-26(36)32(17)42)34(44)41-15-22-7-9-27(41)30(22)37)29-13-20-5-4-19(12-28(20)40(29)14-18-2-3-18)24-8-6-21(33(38)43)10-25(24)35/h4-6,8,10-13,16,18,22,27,30H,2-3,7,9,14-15,37H2,1H3,(H2,38,43)/t22?,27?,30-/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)indol-6-yl]-3-chlorobenzamide?
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)indol-6-yl]-3-chlorobenzamide has a molecular weight of 611.12 g/mol, XLogP of 5.79, 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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide is sourced from PubChem (CID 156828756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).