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

C25H23N7O2 — CID 176547584

IUPACcarbon 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
SMILESCc1cccc(-c2[nH]c(CN[C@@H](C)c3ccccc3)nc2-c2ccc3ncnn3c2)n1.O=C=O
InChIInChI=1S/C24H23N7.CO2/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;2-1-3/h3-12,14-15,17,25H,13H2,1-2H3,(H,29,30);/t17-;/m0./s1
InChIKeyURNHZSPHVGLPCQ-LMOVPXPDSA-N
MW453.51 g/mol
LogP3.76
Rot. Bonds6

About 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

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 (PubChem CID 176547584) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecarbon 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
PubChem CID176547584
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Namecarbon 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
SMILESCc1cccc(-c2[nH]c(CN[C@@H](C)c3ccccc3)nc2-c2ccc3ncnn3c2)n1.O=C=O
InChIInChI=1S/C24H23N7.CO2/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;2-1-3/h3-12,14-15,17,25H,13H2,1-2H3,(H,29,30);/t17-;/m0./s1
InChIKeyURNHZSPHVGLPCQ-LMOVPXPDSA-N
XLogP3.76
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
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-[[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]octan-3-amine
CID 153349873
6-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157418310
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
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
3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-5-(pyrrolidin-1-ylmethyl)benzonitrile
CID 58577987
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(-c2[nH]c(CN[C@@H](C)c3ccccc3)nc2-c2ccc3ncnn3c2)n1.O=C=O.
What is the InChIKey of 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?
The InChIKey is URNHZSPHVGLPCQ-LMOVPXPDSA-N. The full InChI is InChI=1S/C24H23N7.CO2/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;2-1-3/h3-12,14-15,17,25H,13H2,1-2H3,(H,29,30);/t17-;/m0./s1.
What are the key properties of 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?
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 has a molecular weight of 453.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176547584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).