[1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol

C22H27N7O — CID 145148004

IUPAC[1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol
SMILESCc1ccc(C2(CO)CCN(c3cccn4nc(NC5=CNNC5)nc34)CC2)cc1
InChIInChI=1S/C22H27N7O/c1-16-4-6-17(7-5-16)22(15-30)8-11-28(12-9-22)19-3-2-10-29-20(19)26-21(27-29)25-18-13-23-24-14-18/h2-7,10,13,23-24,30H,8-9,11-12,14-15H2,1H3,(H,25,27)
InChIKeyZEJVMDUAVNKJBB-UHFFFAOYSA-N
MW405.51 g/mol
LogP1.93
Rot. Bonds5

About [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol

[1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol (PubChem CID 145148004) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol
PubChem CID145148004
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name[1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol
SMILESCc1ccc(C2(CO)CCN(c3cccn4nc(NC5=CNNC5)nc34)CC2)cc1
InChIInChI=1S/C22H27N7O/c1-16-4-6-17(7-5-16)22(15-30)8-11-28(12-9-22)19-3-2-10-29-20(19)26-21(27-29)25-18-13-23-24-14-18/h2-7,10,13,23-24,30H,8-9,11-12,14-15H2,1H3,(H,25,27)
InChIKeyZEJVMDUAVNKJBB-UHFFFAOYSA-N
XLogP1.93
TPSA89.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite
CID 145148032
[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[3-(methylamino)azetidin-1-yl]methanone
CID 130311005
[4-[[8-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[4-(5-methylcyclohepta-1,3,4,6-tetraen-1-yl)-1,4-diazepan-1-yl]methanone
CID 123813924
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(isocyanomethyl)-4-(4-methylsulfanylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4-methylsulfanylphenyl)cyclohexyl]methanol
CID 160540182
4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 140729115
ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
CID 110455453
1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol
CID 153278087
2-[1-[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylsulfanylphenyl)piperidin-4-yl]acetonitrile
CID 134363038
4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine
CID 144801813
[4-[[8-[4-cyclohexa-1,5-dien-1-yl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-penta-1,3-dien-3-ylpyrrolidin-1-yl)methanone
CID 123608439
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol
CID 159270240

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol (CID 145148004) is [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol is Cc1ccc(C2(CO)CCN(c3cccn4nc(NC5=CNNC5)nc34)CC2)cc1.
What is the InChIKey of [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol?
The InChIKey is ZEJVMDUAVNKJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-16-4-6-17(7-5-16)22(15-30)8-11-28(12-9-22)19-3-2-10-29-20(19)26-21(27-29)25-18-13-23-24-14-18/h2-7,10,13,23-24,30H,8-9,11-12,14-15H2,1H3,(H,25,27).
What are the key properties of [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol?
[1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol has a molecular weight of 405.51 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 145148004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).