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

C25H25FN6O3 — CID 146592274

IUPAC7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCCOc1cc(-c2nccn2C)cc(F)c1-c1cc2c(C(=O)NC)cnc(NC(=O)C3CC3)c2[nH]1
InChIInChI=1S/C25H25FN6O3/c1-4-35-19-10-14(23-28-7-8-32(23)3)9-17(26)20(19)18-11-15-16(25(34)27-2)12-29-22(21(15)30-18)31-24(33)13-5-6-13/h7-13,30H,4-6H2,1-3H3,(H,27,34)(H,29,31,33)
InChIKeyISLNVZKLGNANPV-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.88
Rot. Bonds7

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

7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592274) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592274
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCCOc1cc(-c2nccn2C)cc(F)c1-c1cc2c(C(=O)NC)cnc(NC(=O)C3CC3)c2[nH]1
InChIInChI=1S/C25H25FN6O3/c1-4-35-19-10-14(23-28-7-8-32(23)3)9-17(26)20(19)18-11-15-16(25(34)27-2)12-29-22(21(15)30-18)31-24(33)13-5-6-13/h7-13,30H,4-6H2,1-3H3,(H,27,34)(H,29,31,33)
InChIKeyISLNVZKLGNANPV-UHFFFAOYSA-N
XLogP3.88
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592274) is 7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CCOc1cc(-c2nccn2C)cc(F)c1-c1cc2c(C(=O)NC)cnc(NC(=O)C3CC3)c2[nH]1.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is ISLNVZKLGNANPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-4-35-19-10-14(23-28-7-8-32(23)3)9-17(26)20(19)18-11-15-16(25(34)27-2)12-29-22(21(15)30-18)31-24(33)13-5-6-13/h7-13,30H,4-6H2,1-3H3,(H,27,34)(H,29,31,33).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).