5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide

C22H21N7O2S — CID 123575061

IUPAC5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(NC(CCc2cccs2)C(N)=O)nc1Nc1ccc2ncccc2c1
InChIInChI=1S/C22H21N7O2S/c23-20(30)17(8-6-15-4-2-10-32-15)28-18-12-26-19(21(24)31)22(29-18)27-14-5-7-16-13(11-14)3-1-9-25-16/h1-5,7,9-12,17H,6,8H2,(H2,23,30)(H2,24,31)(H2,27,28,29)
InChIKeyHPXKXQDSACNZES-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.83
Rot. Bonds9

About 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide

5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide (PubChem CID 123575061) has the molecular formula C22H21N7O2S and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide
PubChem CID123575061
Molecular FormulaC22H21N7O2S
Molecular Weight447.52 g/mol
Exact Mass447.15
IUPAC Name5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(NC(CCc2cccs2)C(N)=O)nc1Nc1ccc2ncccc2c1
InChIInChI=1S/C22H21N7O2S/c23-20(30)17(8-6-15-4-2-10-32-15)28-18-12-26-19(21(24)31)22(29-18)27-14-5-7-16-13(11-14)3-1-9-25-16/h1-5,7,9-12,17H,6,8H2,(H2,23,30)(H2,24,31)(H2,27,28,29)
InChIKeyHPXKXQDSACNZES-UHFFFAOYSA-N
XLogP2.83
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)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

3-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 72705614
3-[[(2R)-1-amino-4,4-difluoro-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 118097603
5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide
CID 71572165
5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide
CID 71572060
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
CID 80568988
2-(quinolin-6-ylamino)pyridine-4-carboxamide
CID 117094623
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
2-[[5-cyano-4-methoxy-6-(quinolin-6-ylamino)pyrimidin-2-yl]amino]-3-methylbutanamide
CID 77405098
6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 123570338
5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide
CID 71572169
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide (CID 123575061) is 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide is NC(=O)c1ncc(NC(CCc2cccs2)C(N)=O)nc1Nc1ccc2ncccc2c1.
What is the InChIKey of 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide?
The InChIKey is HPXKXQDSACNZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2S/c23-20(30)17(8-6-15-4-2-10-32-15)28-18-12-26-19(21(24)31)22(29-18)27-14-5-7-16-13(11-14)3-1-9-25-16/h1-5,7,9-12,17H,6,8H2,(H2,23,30)(H2,24,31)(H2,27,28,29).
What are the key properties of 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide?
5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 2.83, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 123575061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).