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

C24H25N5O4 — CID 146592217

IUPAC2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(C(=O)N4CCC4)cc3OC)cc12
InChIInChI=1S/C24H25N5O4/c1-25-23(31)17-12-26-21(28-22(30)13-4-5-13)20-16(17)11-18(27-20)15-7-6-14(10-19(15)33-2)24(32)29-8-3-9-29/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H,25,31)(H,26,28,30)
InChIKeyVTMJPALMSIUVSL-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.79
Rot. Bonds6

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

2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592217) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592217
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(C(=O)N4CCC4)cc3OC)cc12
InChIInChI=1S/C24H25N5O4/c1-25-23(31)17-12-26-21(28-22(30)13-4-5-13)20-16(17)11-18(27-20)15-7-6-14(10-19(15)33-2)24(32)29-8-3-9-29/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H,25,31)(H,26,28,30)
InChIKeyVTMJPALMSIUVSL-UHFFFAOYSA-N
XLogP2.79
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592217) is 2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(C(=O)N4CCC4)cc3OC)cc12.
What is the InChIKey of 2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is VTMJPALMSIUVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-25-23(31)17-12-26-21(28-22(30)13-4-5-13)20-16(17)11-18(27-20)15-7-6-14(10-19(15)33-2)24(32)29-8-3-9-29/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H,25,31)(H,26,28,30).
What are the key properties of 2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).