7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C27H28FN7O3 — CID 146592262

IUPAC7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CCOCC3)cc12
InChIInChI=1S/C27H28FN7O3/c1-29-27(37)18-14-31-24(33-26(36)15-3-4-15)23-17(18)13-20(32-23)22-19(28)11-16(25-30-5-6-34(25)2)12-21(22)35-7-9-38-10-8-35/h5-6,11-15,32H,3-4,7-10H2,1-2H3,(H,29,37)(H,31,33,36)
InChIKeyIAJCYMUIJTVERT-UHFFFAOYSA-N
MW517.57 g/mol
LogP3.31
Rot. Bonds6

About 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592262) has the molecular formula C27H28FN7O3 and a molecular weight of 517.57 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592262
Molecular FormulaC27H28FN7O3
Molecular Weight517.57 g/mol
Exact Mass517.22
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CCOCC3)cc12
InChIInChI=1S/C27H28FN7O3/c1-29-27(37)18-14-31-24(33-26(36)15-3-4-15)23-17(18)13-20(32-23)22-19(28)11-16(25-30-5-6-34(25)2)12-21(22)35-7-9-38-10-8-35/h5-6,11-15,32H,3-4,7-10H2,1-2H3,(H,29,37)(H,31,33,36)
InChIKeyIAJCYMUIJTVERT-UHFFFAOYSA-N
XLogP3.31
TPSA117.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.57
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-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-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592262) is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CCOCC3)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is IAJCYMUIJTVERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O3/c1-29-27(37)18-14-31-24(33-26(36)15-3-4-15)23-17(18)13-20(32-23)22-19(28)11-16(25-30-5-6-34(25)2)12-21(22)35-7-9-38-10-8-35/h5-6,11-15,32H,3-4,7-10H2,1-2H3,(H,29,37)(H,31,33,36).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 517.57 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).