[2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone

C18H24N6O3S — CID 110085394

IUPAC[2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(S(=O)(=O)N2CCc3nc(N)c(C(=O)N4CCCC4)cc3C2)cnn1C
InChIInChI=1S/C18H24N6O3S/c1-12-16(10-20-22(12)2)28(26,27)24-8-5-15-13(11-24)9-14(17(19)21-15)18(25)23-6-3-4-7-23/h9-10H,3-8,11H2,1-2H3,(H2,19,21)
InChIKeyKZJGDIRWZXIERI-UHFFFAOYSA-N
MW404.50 g/mol
LogP0.69
Rot. Bonds3

About [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone

[2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 110085394) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID110085394
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC Name[2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(S(=O)(=O)N2CCc3nc(N)c(C(=O)N4CCCC4)cc3C2)cnn1C
InChIInChI=1S/C18H24N6O3S/c1-12-16(10-20-22(12)2)28(26,27)24-8-5-15-13(11-24)9-14(17(19)21-15)18(25)23-6-3-4-7-23/h9-10H,3-8,11H2,1-2H3,(H2,19,21)
InChIKeyKZJGDIRWZXIERI-UHFFFAOYSA-N
XLogP0.69
TPSA114.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone
CID 73439193
(2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 83571186
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
[2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 92639965
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 110085393
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515203
(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479016
ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
CID 54595310
(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 112530448
2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 110085368

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 110085394) is [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone is Cc1c(S(=O)(=O)N2CCc3nc(N)c(C(=O)N4CCCC4)cc3C2)cnn1C.
What is the InChIKey of [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KZJGDIRWZXIERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-12-16(10-20-22(12)2)28(26,27)24-8-5-15-13(11-24)9-14(17(19)21-15)18(25)23-6-3-4-7-23/h9-10H,3-8,11H2,1-2H3,(H2,19,21).
What are the key properties of [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
[2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 404.50 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110085394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).