7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C25H27N5O4 — CID 146592201

IUPAC7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(C(=O)N4CCCC4)cc3OC)cc12
InChIInChI=1S/C25H27N5O4/c1-26-24(32)18-13-27-22(29-23(31)14-5-6-14)21-17(18)12-19(28-21)16-8-7-15(11-20(16)34-2)25(33)30-9-3-4-10-30/h7-8,11-14,28H,3-6,9-10H2,1-2H3,(H,26,32)(H,27,29,31)
InChIKeyAZMRIBUROJJKJC-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.18
Rot. Bonds6

About 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592201) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592201
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(C(=O)N4CCCC4)cc3OC)cc12
InChIInChI=1S/C25H27N5O4/c1-26-24(32)18-13-27-22(29-23(31)14-5-6-14)21-17(18)12-19(28-21)16-8-7-15(11-20(16)34-2)25(33)30-9-3-4-10-30/h7-8,11-14,28H,3-6,9-10H2,1-2H3,(H,26,32)(H,27,29,31)
InChIKeyAZMRIBUROJJKJC-UHFFFAOYSA-N
XLogP3.18
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.18
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-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592201) is 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(C(=O)N4CCCC4)cc3OC)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is AZMRIBUROJJKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-26-24(32)18-13-27-22(29-23(31)14-5-6-14)21-17(18)12-19(28-21)16-8-7-15(11-20(16)34-2)25(33)30-9-3-4-10-30/h7-8,11-14,28H,3-6,9-10H2,1-2H3,(H,26,32)(H,27,29,31).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).