1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide

C24H22N6OS — CID 177323145

IUPAC1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide
SMILESCc1cc(Sc2cc(C(=O)NCc3cccc4ncncc34)n(C)c2C)cc2cn[nH]c12
InChIInChI=1S/C24H22N6OS/c1-14-7-18(8-17-11-28-29-23(14)17)32-22-9-21(30(3)15(22)2)24(31)26-10-16-5-4-6-20-19(16)12-25-13-27-20/h4-9,11-13H,10H2,1-3H3,(H,26,31)(H,28,29)
InChIKeyPAHSUPCXEUUIIQ-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.54
Rot. Bonds5

About 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide

1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide (PubChem CID 177323145) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide
PubChem CID177323145
Molecular FormulaC24H22N6OS
Molecular Weight442.55 g/mol
Exact Mass442.16
IUPAC Name1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide
SMILESCc1cc(Sc2cc(C(=O)NCc3cccc4ncncc34)n(C)c2C)cc2cn[nH]c12
InChIInChI=1S/C24H22N6OS/c1-14-7-18(8-17-11-28-29-23(14)17)32-22-9-21(30(3)15(22)2)24(31)26-10-16-5-4-6-20-19(16)12-25-13-27-20/h4-9,11-13H,10H2,1-3H3,(H,26,31)(H,28,29)
InChIKeyPAHSUPCXEUUIIQ-UHFFFAOYSA-N
XLogP4.54
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)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

Related Compounds

1,5-dimethyl-4-[[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]sulfonyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323568
4-[(4-amino-5-hydrazinyl-3,6-dihydro-2H-pyridin-1-yl)sulfanyl]-1,5-dimethyl-N-[(2-methylquinazolin-5-yl)methyl]pyrrole-2-carboxamide
CID 177323186
4-[(4-amino-5-hydrazinyl-3,6-dihydro-2H-pyridin-1-yl)sulfanyl]-1,5-dimethyl-N-[(2-methylquinazolin-5-yl)methyl]pyrrole-2-carboxamide;butane;ethane
CID 177323185
4-[(3Z)-4-amino-3-(aminomethylidene)piperazin-1-yl]sulfanyl-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323520
1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323281
4-[(3Z)-3-(1-aminoethylidene)-5-fluoro-4-iminopiperidin-1-yl]sulfanyl-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide;ethane
CID 177323533
4-(1,3-dihydro-2-benzofuran-5-ylsulfanyl)-1,5-dimethyl-N-[(2-methylpyrido[4,3-d]pyrimidin-5-yl)methyl]pyrrole-2-carboxamide
CID 177323637
N-[(6-fluoroquinazolin-5-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
CID 177323414
5-(fluoromethyl)-1-methyl-N-[(2-methylquinazolin-5-yl)methyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
CID 177323324
4-[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]sulfonyl-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323320
N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835080
4-[[(8S)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]sulfonyl]-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323247

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide (CID 177323145) is 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide is Cc1cc(Sc2cc(C(=O)NCc3cccc4ncncc34)n(C)c2C)cc2cn[nH]c12.
What is the InChIKey of 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is PAHSUPCXEUUIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c1-14-7-18(8-17-11-28-29-23(14)17)32-22-9-21(30(3)15(22)2)24(31)26-10-16-5-4-6-20-19(16)12-25-13-27-20/h4-9,11-13H,10H2,1-3H3,(H,26,31)(H,28,29).
What are the key properties of 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide?
1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(7-methyl-1H-indazol-5-yl)sulfanyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 177323145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).