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

C34H34F2N6O3 — CID 156829617

IUPAC[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)phenyl]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)cc5)nc4n3CC3CC3)c(C)c12
InChIInChI=1S/C34H34F2N6O3/c1-18-30(39-42-17-23(14-28(44-2)31(18)42)33(43)41-16-22-8-12-26(41)29(22)37)27-13-21-7-11-25(38-32(21)40(27)15-19-3-4-19)20-5-9-24(10-6-20)45-34(35)36/h5-7,9-11,13-14,17,19,22,26,29,34H,3-4,8,12,15-16,37H2,1-2H3/t22?,26?,29-/m1/s1
InChIKeyZQVYYHNNMKSGCO-JCHVILAISA-N
MW612.68 g/mol
LogP5.91
Rot. Bonds8

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)phenyl]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)phenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829617) has the molecular formula C34H34F2N6O3 and a molecular weight of 612.68 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)phenyl]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)phenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829617
Molecular FormulaC34H34F2N6O3
Molecular Weight612.68 g/mol
Exact Mass612.27
IUPAC Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)phenyl]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)cc5)nc4n3CC3CC3)c(C)c12
InChIInChI=1S/C34H34F2N6O3/c1-18-30(39-42-17-23(14-28(44-2)31(18)42)33(43)41-16-22-8-12-26(41)29(22)37)27-13-21-7-11-25(38-32(21)40(27)15-19-3-4-19)20-5-9-24(10-6-20)45-34(35)36/h5-7,9-11,13-14,17,19,22,26,29,34H,3-4,8,12,15-16,37H2,1-2H3/t22?,26?,29-/m1/s1
InChIKeyZQVYYHNNMKSGCO-JCHVILAISA-N
XLogP5.91
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.68
LogP ≤ 55.91
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)phenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)phenyl]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)phenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829617) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)phenyl]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)phenyl]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)phenyl]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)cc5)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)phenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is ZQVYYHNNMKSGCO-JCHVILAISA-N. The full InChI is InChI=1S/C34H34F2N6O3/c1-18-30(39-42-17-23(14-28(44-2)31(18)42)33(43)41-16-22-8-12-26(41)29(22)37)27-13-21-7-11-25(38-32(21)40(27)15-19-3-4-19)20-5-9-24(10-6-20)45-34(35)36/h5-7,9-11,13-14,17,19,22,26,29,34H,3-4,8,12,15-16,37H2,1-2H3/t22?,26?,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)phenyl]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)phenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 612.68 g/mol, XLogP of 5.91, 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)phenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).