1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide

C24H24N6O3S — CID 138589903

IUPAC1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)ncc3cn2)cn1
InChIInChI=1S/C24H24N6O3S/c1-29-16-20(15-27-29)22-11-18-12-23(26-14-19(18)13-25-22)28-24(31)17-7-9-30(10-8-17)34(32,33)21-5-3-2-4-6-21/h2-6,11-17H,7-10H2,1H3,(H,26,28,31)
InChIKeyGUJAWWIRAVCTFS-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.07
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide (PubChem CID 138589903) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
PubChem CID138589903
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)ncc3cn2)cn1
InChIInChI=1S/C24H24N6O3S/c1-29-16-20(15-27-29)22-11-18-12-23(26-14-19(18)13-25-22)28-24(31)17-7-9-30(10-8-17)34(32,33)21-5-3-2-4-6-21/h2-6,11-17H,7-10H2,1H3,(H,26,28,31)
InChIKeyGUJAWWIRAVCTFS-UHFFFAOYSA-N
XLogP3.07
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138586982
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966
4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138588253
3-[4-(dimethylamino)piperidin-1-yl]sulfonyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]benzamide
CID 170563322
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 138587844
2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138588734
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471
1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
CID 19410656
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide (CID 138589903) is 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide is Cn1cc(-c2cc3cc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)ncc3cn2)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
The InChIKey is GUJAWWIRAVCTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-29-16-20(15-27-29)22-11-18-12-23(26-14-19(18)13-25-22)28-24(31)17-7-9-30(10-8-17)34(32,33)21-5-3-2-4-6-21/h2-6,11-17H,7-10H2,1H3,(H,26,28,31).
What are the key properties of 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138589903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).