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

C23H21FN6O2 — CID 146592213

IUPAC7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cn(C)cn4)c3F)cc12
InChIInChI=1S/C23H21FN6O2/c1-25-23(32)16-9-26-21(29-22(31)12-6-7-12)20-15(16)8-17(28-20)13-4-3-5-14(19(13)24)18-10-30(2)11-27-18/h3-5,8-12,28H,6-7H2,1-2H3,(H,25,32)(H,26,29,31)
InChIKeyZYQUFXPGSROKIS-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.48
Rot. Bonds5

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

7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592213) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592213
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cn(C)cn4)c3F)cc12
InChIInChI=1S/C23H21FN6O2/c1-25-23(32)16-9-26-21(29-22(31)12-6-7-12)20-15(16)8-17(28-20)13-4-3-5-14(19(13)24)18-10-30(2)11-27-18/h3-5,8-12,28H,6-7H2,1-2H3,(H,25,32)(H,26,29,31)
InChIKeyZYQUFXPGSROKIS-UHFFFAOYSA-N
XLogP3.48
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592213) is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cn(C)cn4)c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is ZYQUFXPGSROKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-25-23(32)16-9-26-21(29-22(31)12-6-7-12)20-15(16)8-17(28-20)13-4-3-5-14(19(13)24)18-10-30(2)11-27-18/h3-5,8-12,28H,6-7H2,1-2H3,(H,25,32)(H,26,29,31).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.48, 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-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).