5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine

C22H24N6S — CID 172600777

IUPAC5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
SMILESCSN1CCC(Nc2cc3c(-c4cc5cn[nH]c5cc4C)nccc3cn2)CC1
InChIInChI=1S/C22H24N6S/c1-14-9-20-16(13-25-27-20)10-18(14)22-19-11-21(24-12-15(19)3-6-23-22)26-17-4-7-28(29-2)8-5-17/h3,6,9-13,17H,4-5,7-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQNWJRVFJZBAZLH-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.64
Rot. Bonds4

About 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine

5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine (PubChem CID 172600777) has the molecular formula C22H24N6S and a molecular weight of 404.54 g/mol. Its IUPAC name is 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
PubChem CID172600777
Molecular FormulaC22H24N6S
Molecular Weight404.54 g/mol
Exact Mass404.18
IUPAC Name5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
SMILESCSN1CCC(Nc2cc3c(-c4cc5cn[nH]c5cc4C)nccc3cn2)CC1
InChIInChI=1S/C22H24N6S/c1-14-9-20-16(13-25-27-20)10-18(14)22-19-11-21(24-12-15(19)3-6-23-22)26-17-4-7-28(29-2)8-5-17/h3,6,9-13,17H,4-5,7-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQNWJRVFJZBAZLH-UHFFFAOYSA-N
XLogP4.64
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol
CID 172600250
5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600610
N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine
CID 172601045
2-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]-2-azaspiro[3.3]heptan-6-ol
CID 172601127
1-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridine-1-carbonyl]pyrrolidine-3-carbonitrile
CID 172600222
4-(5-cyclopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 42635126
4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 172600965
N-(1-methylpiperidin-4-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 59564862
5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600381
[3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 172600335
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
The IUPAC name of 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine (CID 172600777) is 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
The canonical SMILES for 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine is CSN1CCC(Nc2cc3c(-c4cc5cn[nH]c5cc4C)nccc3cn2)CC1.
What is the InChIKey of 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
The InChIKey is QNWJRVFJZBAZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6S/c1-14-9-20-16(13-25-27-20)10-18(14)22-19-11-21(24-12-15(19)3-6-23-22)26-17-4-7-28(29-2)8-5-17/h3,6,9-13,17H,4-5,7-8H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine has a molecular weight of 404.54 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172600777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).