5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide

C26H33N7O3 — CID 66589858

IUPAC5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESCOc1cc(CCc2cc(NC(=O)c3cnc(N4CCCN(C5CC5)CC4)cn3)n[nH]2)cc(OC)c1
InChIInChI=1S/C26H33N7O3/c1-35-21-12-18(13-22(15-21)36-2)4-5-19-14-24(31-30-19)29-26(34)23-16-28-25(17-27-23)33-9-3-8-32(10-11-33)20-6-7-20/h12-17,20H,3-11H2,1-2H3,(H2,29,30,31,34)
InChIKeyDKMXLWLZNWCMCI-UHFFFAOYSA-N
MW491.60 g/mol
LogP2.93
Rot. Bonds9

About 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide

5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide (PubChem CID 66589858) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide
PubChem CID66589858
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Name5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESCOc1cc(CCc2cc(NC(=O)c3cnc(N4CCCN(C5CC5)CC4)cn3)n[nH]2)cc(OC)c1
InChIInChI=1S/C26H33N7O3/c1-35-21-12-18(13-22(15-21)36-2)4-5-19-14-24(31-30-19)29-26(34)23-16-28-25(17-27-23)33-9-3-8-32(10-11-33)20-6-7-20/h12-17,20H,3-11H2,1-2H3,(H2,29,30,31,34)
InChIKeyDKMXLWLZNWCMCI-UHFFFAOYSA-N
XLogP2.93
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-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

Related Compounds

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide
CID 66589888
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 66589962
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S)-3,5-dimethylpiperazin-1-yl]benzamide
CID 130413665
4-[5-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]thiophen-2-yl]piperazine-1-carboxylic acid
CID 66589737
N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 66589711
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3,3-dimethylbutanamide
CID 86972583
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-phenylpyrimidine-5-carboxamide
CID 86972575
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(4-fluoro-4-methylpiperidin-1-yl)-2-(prop-2-enoylamino)benzamide
CID 167545641
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide
CID 66589693
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109289419
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide
CID 156742460
4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 86972590

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide (CID 66589858) is 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide is COc1cc(CCc2cc(NC(=O)c3cnc(N4CCCN(C5CC5)CC4)cn3)n[nH]2)cc(OC)c1.
What is the InChIKey of 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The InChIKey is DKMXLWLZNWCMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-35-21-12-18(13-22(15-21)36-2)4-5-19-14-24(31-30-19)29-26(34)23-16-28-25(17-27-23)33-9-3-8-32(10-11-33)20-6-7-20/h12-17,20H,3-11H2,1-2H3,(H2,29,30,31,34).
What are the key properties of 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 66589858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).