8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H24ClN7O2 — CID 58397938

IUPAC8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccn3nc(NC4CCN(c5ccnc(OC)n5)CC4)nc23)c(Cl)c1
InChIInChI=1S/C23H24ClN7O2/c1-32-16-5-6-17(19(24)14-16)18-4-3-11-31-21(18)28-22(29-31)26-15-8-12-30(13-9-15)20-7-10-25-23(27-20)33-2/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,26,29)
InChIKeyBBVBYFODVFAUKG-UHFFFAOYSA-N
MW465.95 g/mol
LogP3.94
Rot. Bonds6

About 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58397938) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58397938
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC Name8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccn3nc(NC4CCN(c5ccnc(OC)n5)CC4)nc23)c(Cl)c1
InChIInChI=1S/C23H24ClN7O2/c1-32-16-5-6-17(19(24)14-16)18-4-3-11-31-21(18)28-22(29-31)26-15-8-12-30(13-9-15)20-7-10-25-23(27-20)33-2/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,26,29)
InChIKeyBBVBYFODVFAUKG-UHFFFAOYSA-N
XLogP3.94
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58398083
8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397984
8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 163923355
8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58398073
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141318206
4-methoxy-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 75498023
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine
CID 122643476
N-(4-methoxy-2-methylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189262
N-(3,5-dimethoxyphenyl)-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 122144100
4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58397938) is 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2cccn3nc(NC4CCN(c5ccnc(OC)n5)CC4)nc23)c(Cl)c1.
What is the InChIKey of 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BBVBYFODVFAUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c1-32-16-5-6-17(19(24)14-16)18-4-3-11-31-21(18)28-22(29-31)26-15-8-12-30(13-9-15)20-7-10-25-23(27-20)33-2/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,26,29).
What are the key properties of 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 465.95 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58397938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).