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

C24H23FN6O2 — CID 146634572

IUPAC7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cn(C)c(C)n4)c3F)cc12
InChIInChI=1S/C24H23FN6O2/c1-12-28-19(11-31(12)3)15-6-4-5-14(20(15)25)18-9-16-17(24(33)26-2)10-27-22(21(16)29-18)30-23(32)13-7-8-13/h4-6,9-11,13,29H,7-8H2,1-3H3,(H,26,33)(H,27,30,32)
InChIKeyXCJHEVVEKFTURM-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.79
Rot. Bonds5

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

7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146634572) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146634572
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cn(C)c(C)n4)c3F)cc12
InChIInChI=1S/C24H23FN6O2/c1-12-28-19(11-31(12)3)15-6-4-5-14(20(15)25)18-9-16-17(24(33)26-2)10-27-22(21(16)29-18)30-23(32)13-7-8-13/h4-6,9-11,13,29H,7-8H2,1-3H3,(H,26,33)(H,27,30,32)
InChIKeyXCJHEVVEKFTURM-UHFFFAOYSA-N
XLogP3.79
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146634572) is 7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cn(C)c(C)n4)c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is XCJHEVVEKFTURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-12-28-19(11-31(12)3)15-6-4-5-14(20(15)25)18-9-16-17(24(33)26-2)10-27-22(21(16)29-18)30-23(32)13-7-8-13/h4-6,9-11,13,29H,7-8H2,1-3H3,(H,26,33)(H,27,30,32).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[3-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146634572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).