7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C25H25FN6O2 — CID 146592229

IUPAC7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-c4nc(C)c(C)n4C)cc3F)cc12
InChIInChI=1S/C25H25FN6O2/c1-12-13(2)32(4)23(29-12)15-7-8-16(19(26)9-15)20-10-17-18(25(34)27-3)11-28-22(21(17)30-20)31-24(33)14-5-6-14/h7-11,14,30H,5-6H2,1-4H3,(H,27,34)(H,28,31,33)
InChIKeyWYWOBKFWFGVCDI-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.09
Rot. Bonds5

About 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592229) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592229
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-c4nc(C)c(C)n4C)cc3F)cc12
InChIInChI=1S/C25H25FN6O2/c1-12-13(2)32(4)23(29-12)15-7-8-16(19(26)9-15)20-10-17-18(25(34)27-3)11-28-22(21(17)30-20)31-24(33)14-5-6-14/h7-11,14,30H,5-6H2,1-4H3,(H,27,34)(H,28,31,33)
InChIKeyWYWOBKFWFGVCDI-UHFFFAOYSA-N
XLogP4.09
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-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 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592229) is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-c4nc(C)c(C)n4C)cc3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is WYWOBKFWFGVCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-12-13(2)32(4)23(29-12)15-7-8-16(19(26)9-15)20-10-17-18(25(34)27-3)11-28-22(21(17)30-20)31-24(33)14-5-6-14/h7-11,14,30H,5-6H2,1-4H3,(H,27,34)(H,28,31,33).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).