(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine

C24H23N7 — CID 155582412

IUPAC(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine
SMILESCc1cccc(-c2[nH]c(CN[C@@H](C)c3ccccc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C24H23N7/c1-16-7-6-10-20(28-16)24-23(19-11-12-22-26-15-27-31(22)14-19)29-21(30-24)13-25-17(2)18-8-4-3-5-9-18/h3-12,14-15,17,25H,13H2,1-2H3,(H,29,30)/t17-/m0/s1
InChIKeyNWLCGXZDLPMJNQ-KRWDZBQOSA-N
MW409.50 g/mol
LogP4.34
Rot. Bonds6

About (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine

(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine (PubChem CID 155582412) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine
PubChem CID155582412
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine
SMILESCc1cccc(-c2[nH]c(CN[C@@H](C)c3ccccc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C24H23N7/c1-16-7-6-10-20(28-16)24-23(19-11-12-22-26-15-27-31(22)14-19)29-21(30-24)13-25-17(2)18-8-4-3-5-9-18/h3-12,14-15,17,25H,13H2,1-2H3,(H,29,30)/t17-/m0/s1
InChIKeyNWLCGXZDLPMJNQ-KRWDZBQOSA-N
XLogP4.34
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine with MolForge

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Related Compounds

carbon dioxide;(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine
CID 176547584
4-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766469
2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766013
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine
CID 153349873
2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
CID 54767249
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 139569355
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-(3-pyridin-3-yloxyphenyl)methanamine
CID 155582281
1-methyl-2,3-dihydro-1H-indene;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine;molecular hydrogen
CID 153349881
2-N'-tert-butyl-2-N-methyl-5-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1,3-dihydroindene-2,2,5-triamine
CID 156686998
6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 139569221
N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 155582181
2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile
CID 155582209

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine (CID 155582412) is (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine is Cc1cccc(-c2[nH]c(CN[C@@H](C)c3ccccc3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine?
The InChIKey is NWLCGXZDLPMJNQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N7/c1-16-7-6-10-20(28-16)24-23(19-11-12-22-26-15-27-31(22)14-19)29-21(30-24)13-25-17(2)18-8-4-3-5-9-18/h3-12,14-15,17,25H,13H2,1-2H3,(H,29,30)/t17-/m0/s1.
What are the key properties of (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine?
(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine has a molecular weight of 409.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 155582412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).