4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide

C24H21N5O3S — CID 177323413

IUPAC4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)c2ccc3[nH]ccc3c2)cc(C(=O)NCc2nccc3ncccc23)n1C
InChIInChI=1S/C24H21N5O3S/c1-15-23(33(31,32)17-5-6-19-16(12-17)7-10-26-19)13-22(29(15)2)24(30)28-14-21-18-4-3-9-25-20(18)8-11-27-21/h3-13,26H,14H2,1-2H3,(H,28,30)
InChIKeyJNOBXIFSCGOHHE-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.52
Rot. Bonds5

About 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide

4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide (PubChem CID 177323413) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide
PubChem CID177323413
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Name4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)c2ccc3[nH]ccc3c2)cc(C(=O)NCc2nccc3ncccc23)n1C
InChIInChI=1S/C24H21N5O3S/c1-15-23(33(31,32)17-5-6-19-16(12-17)7-10-26-19)13-22(29(15)2)24(30)28-14-21-18-4-3-9-25-20(18)8-11-27-21/h3-13,26H,14H2,1-2H3,(H,28,30)
InChIKeyJNOBXIFSCGOHHE-UHFFFAOYSA-N
XLogP3.52
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323262
4-[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]sulfonyl-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323320
N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide
CID 177323261
4-[[(8S)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]sulfonyl]-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323247
4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)-1,5-dimethyl-N-[(8-nitroquinolin-5-yl)methyl]pyrrole-2-carboxamide
CID 177323240
ethyl 4-(1H-indazol-5-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylate
CID 177323235
1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323281
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
N-[(6-fluoroquinolin-5-yl)methyl]-4-[[1-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrazol-4-yl]sulfonyl]-1,5-dimethylpyrrole-2-carboxamide
CID 177323139
N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 138047181
1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102910898
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide (CID 177323413) is 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide is Cc1c(S(=O)(=O)c2ccc3[nH]ccc3c2)cc(C(=O)NCc2nccc3ncccc23)n1C.
What is the InChIKey of 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is JNOBXIFSCGOHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-15-23(33(31,32)17-5-6-19-16(12-17)7-10-26-19)13-22(29(15)2)24(30)28-14-21-18-4-3-9-25-20(18)8-11-27-21/h3-13,26H,14H2,1-2H3,(H,28,30).
What are the key properties of 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide?
4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-ylsulfonyl)-1,5-dimethyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 177323413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).