N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

C17H19N7O4S — CID 167928325

IUPACN-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)c3c[nH]c4nc[nH]c(=O)c34)cn2)CC1
InChIInChI=1S/C17H19N7O4S/c1-29(27,28)24-6-4-23(5-7-24)13-3-2-11(8-18-13)22-16(25)12-9-19-15-14(12)17(26)21-10-20-15/h2-3,8-10H,4-7H2,1H3,(H,22,25)(H2,19,20,21,26)
InChIKeyKTYBGJMCLPITLH-UHFFFAOYSA-N
MW417.45 g/mol
LogP-0.02
Rot. Bonds4

About N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 167928325) has the molecular formula C17H19N7O4S and a molecular weight of 417.45 g/mol. Its IUPAC name is N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID167928325
Molecular FormulaC17H19N7O4S
Molecular Weight417.45 g/mol
Exact Mass417.12
IUPAC NameN-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)c3c[nH]c4nc[nH]c(=O)c34)cn2)CC1
InChIInChI=1S/C17H19N7O4S/c1-29(27,28)24-6-4-23(5-7-24)13-3-2-11(8-18-13)22-16(25)12-9-19-15-14(12)17(26)21-10-20-15/h2-3,8-10H,4-7H2,1H3,(H,22,25)(H2,19,20,21,26)
InChIKeyKTYBGJMCLPITLH-UHFFFAOYSA-N
XLogP-0.02
TPSA144.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167899065
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
2-chloro-N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857314
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
CID 154805268
N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42857295
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 113011122
2-[(4-chlorophenyl)sulfonylamino]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55519672

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 167928325) is N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3c[nH]c4nc[nH]c(=O)c34)cn2)CC1.
What is the InChIKey of N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KTYBGJMCLPITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O4S/c1-29(27,28)24-6-4-23(5-7-24)13-3-2-11(8-18-13)22-16(25)12-9-19-15-14(12)17(26)21-10-20-15/h2-3,8-10H,4-7H2,1H3,(H,22,25)(H2,19,20,21,26).
What are the key properties of N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 417.45 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 167928325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).