N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide

C26H32N8O3S — CID 122180984

IUPACN-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3ccc(-c4cnn(C)c4)s3)cn2C)cn1C
InChIInChI=1S/C26H32N8O3S/c1-31(2)10-6-9-27-24(35)20-11-18(15-32(20)3)29-25(36)21-12-19(16-33(21)4)30-26(37)23-8-7-22(38-23)17-13-28-34(5)14-17/h7-8,11-16H,6,9-10H2,1-5H3,(H,27,35)(H,29,36)(H,30,37)
InChIKeyWWNOUIBBKCOGNE-UHFFFAOYSA-N
MW536.66 g/mol
LogP3.01
Rot. Bonds10

About N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide

N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide (PubChem CID 122180984) has the molecular formula C26H32N8O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide
PubChem CID122180984
Molecular FormulaC26H32N8O3S
Molecular Weight536.66 g/mol
Exact Mass536.23
IUPAC NameN-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3ccc(-c4cnn(C)c4)s3)cn2C)cn1C
InChIInChI=1S/C26H32N8O3S/c1-31(2)10-6-9-27-24(35)20-11-18(15-32(20)3)29-25(36)21-12-19(16-33(21)4)30-26(37)23-8-7-22(38-23)17-13-28-34(5)14-17/h7-8,11-16H,6,9-10H2,1-5H3,(H,27,35)(H,29,36)(H,30,37)
InChIKeyWWNOUIBBKCOGNE-UHFFFAOYSA-N
XLogP3.01
TPSA118.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.66
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-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-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide?
The IUPAC name of N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide (CID 122180984) is N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide.
What is the SMILES notation for N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide?
The canonical SMILES for N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide is CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3ccc(-c4cnn(C)c4)s3)cn2C)cn1C.
What is the InChIKey of N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide?
The InChIKey is WWNOUIBBKCOGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3S/c1-31(2)10-6-9-27-24(35)20-11-18(15-32(20)3)29-25(36)21-12-19(16-33(21)4)30-26(37)23-8-7-22(38-23)17-13-28-34(5)14-17/h7-8,11-16H,6,9-10H2,1-5H3,(H,27,35)(H,29,36)(H,30,37).
What are the key properties of N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide?
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide has a molecular weight of 536.66 g/mol, XLogP of 3.01, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide is sourced from PubChem (CID 122180984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).