N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C25H28N6O2 — CID 57394243

IUPACN-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1
InChIInChI=1S/C25H28N6O2/c1-33-21-6-4-5-18(13-21)17-31(12-11-30-9-2-3-10-30)25(32)23-14-19-7-8-22(28-24(19)29-23)20-15-26-27-16-20/h4-8,13-16H,2-3,9-12,17H2,1H3,(H,26,27)(H,28,29)
InChIKeyVIWMCGWPKWDOBH-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.70
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 57394243) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID57394243
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1
InChIInChI=1S/C25H28N6O2/c1-33-21-6-4-5-18(13-21)17-31(12-11-30-9-2-3-10-30)25(32)23-14-19-7-8-22(28-24(19)29-23)20-15-26-27-16-20/h4-8,13-16H,2-3,9-12,17H2,1H3,(H,26,27)(H,28,29)
InChIKeyVIWMCGWPKWDOBH-UHFFFAOYSA-N
XLogP3.70
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-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 N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 57394243) is N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is VIWMCGWPKWDOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-33-21-6-4-5-18(13-21)17-31(12-11-30-9-2-3-10-30)25(32)23-14-19-7-8-22(28-24(19)29-23)20-15-26-27-16-20/h4-8,13-16H,2-3,9-12,17H2,1H3,(H,26,27)(H,28,29).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 57394243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).