N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C19H23N7O — CID 91799513

IUPACN-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCNc1ccc2c(n1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2
InChIInChI=1S/C19H23N7O/c1-12-23-17(14-6-8-27-10-14)18-19(21-11-22-26(12)18)25-7-5-15-13(9-25)3-4-16(20-2)24-15/h3-4,11,14H,5-10H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyRYLBBLIIRSTMHF-CQSZACIVSA-N
MW365.44 g/mol
LogP1.94
Rot. Bonds3

About N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 91799513) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID91799513
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCNc1ccc2c(n1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2
InChIInChI=1S/C19H23N7O/c1-12-23-17(14-6-8-27-10-14)18-19(21-11-22-26(12)18)25-7-5-15-13(9-25)3-4-16(20-2)24-15/h3-4,11,14H,5-10H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyRYLBBLIIRSTMHF-CQSZACIVSA-N
XLogP1.94
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine with MolForge

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Related Compounds

Jnj-42396302
CID 51352628
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(tetrahydro-2H-pyran-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254005
2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine
CID 71278163
7-[3-(4-Methylpiperazin-1-yl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363418
Sdccggsk-0000064.P001
CID 44589696
2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 155518454
2-(3,6-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 155520790
2-(3,8-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 155536489
2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 155544874
1-(2-ethoxyethyl)-3-ethyl-N-(5-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11596704
1-(2-ethoxyethyl)-3-ethyl-N-(3-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888559
US10023576, Example 62
CID 130362899

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 91799513) is N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is CNc1ccc2c(n1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2.
What is the InChIKey of N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is RYLBBLIIRSTMHF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N7O/c1-12-23-17(14-6-8-27-10-14)18-19(21-11-22-26(12)18)25-7-5-15-13(9-25)3-4-16(20-2)24-15/h3-4,11,14H,5-10H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 91799513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).