N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide

C29H33F2N7O4S — CID 164555566

IUPACN-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCOc1cc(C(=O)NC2C3CCCNC32)cc2nc(-c3cc4ccc(N(C(F)F)S(C)(=O)=O)nc4n3CC3CC3)c(C)n12
InChIInChI=1S/C29H33F2N7O4S/c1-15-24(33-22-12-18(13-23(42-2)37(15)22)28(39)35-26-19-5-4-10-32-25(19)26)20-11-17-8-9-21(38(29(30)31)43(3,40)41)34-27(17)36(20)14-16-6-7-16/h8-9,11-13,16,19,25-26,29,32H,4-7,10,14H2,1-3H3,(H,35,39)
InChIKeyVEBXJXZFAIFAHS-UHFFFAOYSA-N
MW613.69 g/mol
LogP3.55
Rot. Bonds9

About N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide

N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 164555566) has the molecular formula C29H33F2N7O4S and a molecular weight of 613.69 g/mol. Its IUPAC name is N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID164555566
Molecular FormulaC29H33F2N7O4S
Molecular Weight613.69 g/mol
Exact Mass613.23
IUPAC NameN-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCOc1cc(C(=O)NC2C3CCCNC32)cc2nc(-c3cc4ccc(N(C(F)F)S(C)(=O)=O)nc4n3CC3CC3)c(C)n12
InChIInChI=1S/C29H33F2N7O4S/c1-15-24(33-22-12-18(13-23(42-2)37(15)22)28(39)35-26-19-5-4-10-32-25(19)26)20-11-17-8-9-21(38(29(30)31)43(3,40)41)34-27(17)36(20)14-16-6-7-16/h8-9,11-13,16,19,25-26,29,32H,4-7,10,14H2,1-3H3,(H,35,39)
InChIKeyVEBXJXZFAIFAHS-UHFFFAOYSA-N
XLogP3.55
TPSA122.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.69
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide 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 N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide (CID 164555566) is N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide is COc1cc(C(=O)NC2C3CCCNC32)cc2nc(-c3cc4ccc(N(C(F)F)S(C)(=O)=O)nc4n3CC3CC3)c(C)n12.
What is the InChIKey of N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is VEBXJXZFAIFAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O4S/c1-15-24(33-22-12-18(13-23(42-2)37(15)22)28(39)35-26-19-5-4-10-32-25(19)26)20-11-17-8-9-21(38(29(30)31)43(3,40)41)34-27(17)36(20)14-16-6-7-16/h8-9,11-13,16,19,25-26,29,32H,4-7,10,14H2,1-3H3,(H,35,39).
What are the key properties of N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide?
N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 613.69 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[4.1.0]heptan-7-yl)-2-[1-(cyclopropylmethyl)-6-[difluoromethyl(methylsulfonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 164555566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).