6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine

C25H28N10O — CID 170626486

IUPAC6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(-c2nc3ccc(N4CCO[C@@H](C)C4)cn3n2)c2cc(Nc3cc(C)n(C)n3)ncc12
InChIInChI=1S/C25H28N10O/c1-15-9-22(31-33(15)4)29-21-10-18-19(11-27-21)24(26-3)28-12-20(18)25-30-23-6-5-17(14-35(23)32-25)34-7-8-36-16(2)13-34/h5-6,9-12,14,16H,7-8,13H2,1-4H3,(H,26,28)(H,27,29,31)/t16-/m0/s1
InChIKeyQUPJHXQUXFJPEQ-INIZCTEOSA-N
MW484.57 g/mol
LogP3.39
Rot. Bonds5

About 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine

6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine (PubChem CID 170626486) has the molecular formula C25H28N10O and a molecular weight of 484.57 g/mol. Its IUPAC name is 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine
PubChem CID170626486
Molecular FormulaC25H28N10O
Molecular Weight484.57 g/mol
Exact Mass484.24
IUPAC Name6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(-c2nc3ccc(N4CCO[C@@H](C)C4)cn3n2)c2cc(Nc3cc(C)n(C)n3)ncc12
InChIInChI=1S/C25H28N10O/c1-15-9-22(31-33(15)4)29-21-10-18-19(11-27-21)24(26-3)28-12-20(18)25-30-23-6-5-17(14-35(23)32-25)34-7-8-36-16(2)13-34/h5-6,9-12,14,16H,7-8,13H2,1-4H3,(H,26,28)(H,27,29,31)/t16-/m0/s1
InChIKeyQUPJHXQUXFJPEQ-INIZCTEOSA-N
XLogP3.39
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine (CID 170626486) is 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine is CNc1ncc(-c2nc3ccc(N4CCO[C@@H](C)C4)cn3n2)c2cc(Nc3cc(C)n(C)n3)ncc12.
What is the InChIKey of 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine?
The InChIKey is QUPJHXQUXFJPEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H28N10O/c1-15-9-22(31-33(15)4)29-21-10-18-19(11-27-21)24(26-3)28-12-20(18)25-30-23-6-5-17(14-35(23)32-25)34-7-8-36-16(2)13-34/h5-6,9-12,14,16H,7-8,13H2,1-4H3,(H,26,28)(H,27,29,31)/t16-/m0/s1.
What are the key properties of 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine?
6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine has a molecular weight of 484.57 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 170626486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).