8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine

C25H31N9 — CID 166546899

IUPAC8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine
SMILESCc1c(-c2ncc(C(C)C)c3cc(Nc4ccnc(N5CCCC(C)C5)n4)ncc23)nnn1C
InChIInChI=1S/C25H31N9/c1-15(2)19-12-28-24(23-17(4)33(5)32-31-23)20-13-27-22(11-18(19)20)29-21-8-9-26-25(30-21)34-10-6-7-16(3)14-34/h8-9,11-13,15-16H,6-7,10,14H2,1-5H3,(H,26,27,29,30)
InChIKeyASPJNUCFZLXORX-UHFFFAOYSA-N
MW457.59 g/mol
LogP4.63
Rot. Bonds5

About 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine

8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine (PubChem CID 166546899) has the molecular formula C25H31N9 and a molecular weight of 457.59 g/mol. Its IUPAC name is 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine
PubChem CID166546899
Molecular FormulaC25H31N9
Molecular Weight457.59 g/mol
Exact Mass457.27
IUPAC Name8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine
SMILESCc1c(-c2ncc(C(C)C)c3cc(Nc4ccnc(N5CCCC(C)C5)n4)ncc23)nnn1C
InChIInChI=1S/C25H31N9/c1-15(2)19-12-28-24(23-17(4)33(5)32-31-23)20-13-27-22(11-18(19)20)29-21-8-9-26-25(30-21)34-10-6-7-16(3)14-34/h8-9,11-13,15-16H,6-7,10,14H2,1-5H3,(H,26,27,29,30)
InChIKeyASPJNUCFZLXORX-UHFFFAOYSA-N
XLogP4.63
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine
CID 167269911
N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166549981
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156550602
methanethiol;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156802118
3-fluoro-1-[4-[[8-(methylamino)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 175575140
1-[4-[[8-[3-(4-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]piperidin-3-ol
CID 166547078
(3R,4S)-3-fluoro-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166546956
1-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-4-methylpiperidin-4-ol
CID 167276876
N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-8-[2-(1,2,4-triazol-4-yl)ethoxy]isoquinolin-3-amine
CID 166549861
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol
CID 166547192
1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol
CID 167277205

Frequently Asked Questions

What is the IUPAC name of 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine?
The IUPAC name of 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine (CID 166546899) is 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine.
What is the SMILES notation for 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine?
The canonical SMILES for 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine is Cc1c(-c2ncc(C(C)C)c3cc(Nc4ccnc(N5CCCC(C)C5)n4)ncc23)nnn1C.
What is the InChIKey of 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine?
The InChIKey is ASPJNUCFZLXORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9/c1-15(2)19-12-28-24(23-17(4)33(5)32-31-23)20-13-27-22(11-18(19)20)29-21-8-9-26-25(30-21)34-10-6-7-16(3)14-34/h8-9,11-13,15-16H,6-7,10,14H2,1-5H3,(H,26,27,29,30).
What are the key properties of 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine?
8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine has a molecular weight of 457.59 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine is sourced from PubChem (CID 166546899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).