[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C34H33F3N6O3 — CID 156828750

IUPAC[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(C(=O)N2CC3CCC2[C@@H]3N)cn2nc(-c3cc4ccc(-c5ccc(OC(F)F)c(F)c5)nc4n3CC3CC3)c(C)c12
InChIInChI=1S/C34H33F3N6O3/c1-17-30(40-43-16-22(13-28(45-2)31(17)43)33(44)42-15-21-6-9-25(42)29(21)38)26-12-20-5-8-24(39-32(20)41(26)14-18-3-4-18)19-7-10-27(23(35)11-19)46-34(36)37/h5,7-8,10-13,16,18,21,25,29,34H,3-4,6,9,14-15,38H2,1-2H3/t21?,25?,29-/m1/s1
InChIKeyOWIDMWNNDFBKCK-CXBZOWBPSA-N
MW630.67 g/mol
LogP6.05
Rot. Bonds8

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156828750) has the molecular formula C34H33F3N6O3 and a molecular weight of 630.67 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-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-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156828750
Molecular FormulaC34H33F3N6O3
Molecular Weight630.67 g/mol
Exact Mass630.26
IUPAC Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(C(=O)N2CC3CCC2[C@@H]3N)cn2nc(-c3cc4ccc(-c5ccc(OC(F)F)c(F)c5)nc4n3CC3CC3)c(C)c12
InChIInChI=1S/C34H33F3N6O3/c1-17-30(40-43-16-22(13-28(45-2)31(17)43)33(44)42-15-21-6-9-25(42)29(21)38)26-12-20-5-8-24(39-32(20)41(26)14-18-3-4-18)19-7-10-27(23(35)11-19)46-34(36)37/h5,7-8,10-13,16,18,21,25,29,34H,3-4,6,9,14-15,38H2,1-2H3/t21?,25?,29-/m1/s1
InChIKeyOWIDMWNNDFBKCK-CXBZOWBPSA-N
XLogP6.05
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.67
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-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-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-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-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156828750) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-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-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-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-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cn2nc(-c3cc4ccc(-c5ccc(OC(F)F)c(F)c5)nc4n3CC3CC3)c(C)c12.
What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is OWIDMWNNDFBKCK-CXBZOWBPSA-N. The full InChI is InChI=1S/C34H33F3N6O3/c1-17-30(40-43-16-22(13-28(45-2)31(17)43)33(44)42-15-21-6-9-25(42)29(21)38)26-12-20-5-8-24(39-32(20)41(26)14-18-3-4-18)19-7-10-27(23(35)11-19)46-34(36)37/h5,7-8,10-13,16,18,21,25,29,34H,3-4,6,9,14-15,38H2,1-2H3/t21?,25?,29-/m1/s1.
What are the key properties of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 630.67 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156828750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).