4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol

C20H29N5O3S — CID 172600965

IUPAC4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
SMILESCC1(O)CCN(c2nccc3cnc(NC4CCN(S(C)(=O)=O)CC4)cc23)CC1
InChIInChI=1S/C20H29N5O3S/c1-20(26)6-11-24(12-7-20)19-17-13-18(22-14-15(17)3-8-21-19)23-16-4-9-25(10-5-16)29(2,27)28/h3,8,13-14,16,26H,4-7,9-12H2,1-2H3,(H,22,23)
InChIKeyJJWMMPZMNVYESE-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.82
Rot. Bonds4

About 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol

4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol (PubChem CID 172600965) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
PubChem CID172600965
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
SMILESCC1(O)CCN(c2nccc3cnc(NC4CCN(S(C)(=O)=O)CC4)cc23)CC1
InChIInChI=1S/C20H29N5O3S/c1-20(26)6-11-24(12-7-20)19-17-13-18(22-14-15(17)3-8-21-19)23-16-4-9-25(10-5-16)29(2,27)28/h3,8,13-14,16,26H,4-7,9-12H2,1-2H3,(H,22,23)
InChIKeyJJWMMPZMNVYESE-UHFFFAOYSA-N
XLogP1.82
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol with MolForge

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Related Compounds

5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600381
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695
7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine
CID 172601278
ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
CID 172600523
4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 90245389
2-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]-2-azaspiro[3.3]heptan-6-ol
CID 172601127
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
(3R,4R)-4-[[5-[(1S,3S)-3-aminocyclopentyl]-2,6-naphthyridin-3-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 178017023
cis-(1R,2R)-2-[[6-chloro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]-1-methylcyclopentan-1-ol
CID 169076020
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 170740332
cis-(1R,2R)-2-[[5-bromo-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]-1-methylcyclopentan-1-ol
CID 134253044

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol (CID 172600965) is 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol is CC1(O)CCN(c2nccc3cnc(NC4CCN(S(C)(=O)=O)CC4)cc23)CC1.
What is the InChIKey of 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol?
The InChIKey is JJWMMPZMNVYESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-20(26)6-11-24(12-7-20)19-17-13-18(22-14-15(17)3-8-21-19)23-16-4-9-25(10-5-16)29(2,27)28/h3,8,13-14,16,26H,4-7,9-12H2,1-2H3,(H,22,23).
What are the key properties of 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol?
4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol has a molecular weight of 419.55 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol is sourced from PubChem (CID 172600965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).