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

C22H21FN6O2 — CID 146592264

IUPAC7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc4nc(C)n(C)c4c3F)cc12
InChIInChI=1S/C22H21FN6O2/c1-10-26-15-7-6-12(17(23)19(15)29(10)3)16-8-13-14(22(31)24-2)9-25-20(18(13)27-16)28-21(30)11-4-5-11/h6-9,11,27H,4-5H2,1-3H3,(H,24,31)(H,25,28,30)
InChIKeyZGBFGAWNHKKYIE-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.27
Rot. Bonds4

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

7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592264) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592264
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc4nc(C)n(C)c4c3F)cc12
InChIInChI=1S/C22H21FN6O2/c1-10-26-15-7-6-12(17(23)19(15)29(10)3)16-8-13-14(22(31)24-2)9-25-20(18(13)27-16)28-21(30)11-4-5-11/h6-9,11,27H,4-5H2,1-3H3,(H,24,31)(H,25,28,30)
InChIKeyZGBFGAWNHKKYIE-UHFFFAOYSA-N
XLogP3.27
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592264) is 7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc4nc(C)n(C)c4c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is ZGBFGAWNHKKYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-10-26-15-7-6-12(17(23)19(15)29(10)3)16-8-13-14(22(31)24-2)9-25-20(18(13)27-16)28-21(30)11-4-5-11/h6-9,11,27H,4-5H2,1-3H3,(H,24,31)(H,25,28,30).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-(4-fluoro-2,3-dimethylbenzimidazol-5-yl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).