[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C34H32FN7O — CID 156829408

IUPAC[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc(F)c5[nH]ncc45)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12
InChIInChI=1S/C34H32FN7O/c1-18-27-10-7-23(34(43)41-16-22-6-11-28(41)31(22)36)17-42(27)39-32(18)30-13-21-5-4-20(12-29(21)40(30)15-19-2-3-19)24-8-9-26(35)33-25(24)14-37-38-33/h4-5,7-10,12-14,17,19,22,28,31H,2-3,6,11,15-16,36H2,1H3,(H,37,38)/t22?,28?,31-/m1/s1
InChIKeyTYDUGDFOMSBRBS-RXEARMEOSA-N
MW573.68 g/mol
LogP5.92
Rot. Bonds5

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829408) has the molecular formula C34H32FN7O and a molecular weight of 573.68 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829408
Molecular FormulaC34H32FN7O
Molecular Weight573.68 g/mol
Exact Mass573.27
IUPAC Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc(F)c5[nH]ncc45)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12
InChIInChI=1S/C34H32FN7O/c1-18-27-10-7-23(34(43)41-16-22-6-11-28(41)31(22)36)17-42(27)39-32(18)30-13-21-5-4-20(12-29(21)40(30)15-19-2-3-19)24-8-9-26(35)33-25(24)14-37-38-33/h4-5,7-10,12-14,17,19,22,28,31H,2-3,6,11,15-16,36H2,1H3,(H,37,38)/t22?,28?,31-/m1/s1
InChIKeyTYDUGDFOMSBRBS-RXEARMEOSA-N
XLogP5.92
TPSA97.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.68
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829408) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4ccc(F)c5[nH]ncc45)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12.
What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is TYDUGDFOMSBRBS-RXEARMEOSA-N. The full InChI is InChI=1S/C34H32FN7O/c1-18-27-10-7-23(34(43)41-16-22-6-11-28(41)31(22)36)17-42(27)39-32(18)30-13-21-5-4-20(12-29(21)40(30)15-19-2-3-19)24-8-9-26(35)33-25(24)14-37-38-33/h4-5,7-10,12-14,17,19,22,28,31H,2-3,6,11,15-16,36H2,1H3,(H,37,38)/t22?,28?,31-/m1/s1.
What are the key properties of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 573.68 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-4-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).