2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile

C20H22N10 — CID 134342108

IUPAC2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile
SMILESCC(C)c1cnn(C2(CC#N)CN(c3cccn4nc(Nc5cn[nH]c5)nc34)C2)c1
InChIInChI=1S/C20H22N10/c1-14(2)15-8-24-30(11-15)20(5-6-21)12-28(13-20)17-4-3-7-29-18(17)26-19(27-29)25-16-9-22-23-10-16/h3-4,7-11,14H,5,12-13H2,1-2H3,(H,22,23)(H,25,27)
InChIKeyPOWDLLIYPYXFOX-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.65
Rot. Bonds6

About 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile

2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile (PubChem CID 134342108) has the molecular formula C20H22N10 and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile
PubChem CID134342108
Molecular FormulaC20H22N10
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile
SMILESCC(C)c1cnn(C2(CC#N)CN(c3cccn4nc(Nc5cn[nH]c5)nc34)C2)c1
InChIInChI=1S/C20H22N10/c1-14(2)15-8-24-30(11-15)20(5-6-21)12-28(13-20)17-4-3-7-29-18(17)26-19(27-29)25-16-9-22-23-10-16/h3-4,7-11,14H,5,12-13H2,1-2H3,(H,22,23)(H,25,27)
InChIKeyPOWDLLIYPYXFOX-UHFFFAOYSA-N
XLogP2.65
TPSA115.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(4-ethylpyrazol-1-yl)-1-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile
CID 134330811
2-[3-(4-ethylpyrazol-1-yl)-1-[2-[[2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile
CID 138706717
3-[[1-[2-[4-[[8-[3-(cyanomethyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-4-yl]methylamino]-2,2-dimethylpropanenitrile
CID 138706718
2-[3-(4-bromopyrazol-1-yl)-1-[2-[[1-[2-[4-(oxan-4-yl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile
CID 134341977
3-[[1-[2-[4-[[8-[3-(cyanomethyl)-3-(4-ethylpyrazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-4-yl]amino]-2,2-dimethylpropanenitrile
CID 134341894
8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161417928
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
N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 90778412
2-[3-hydrazinyl-1-[2-[[2-[(3R)-oxolan-3-yl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile
CID 134341923
2-[1-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]cyclopropyl]acetonitrile
CID 129270035
[1-[2-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylsulfanylphenyl)piperidin-4-yl]methanol;2-[3-(4-ethylpyrazol-1-yl)-1-[2-[[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile
CID 158364306
4,4,4-trifluoro-1-[7-[2-[[1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-aza-9-azoniatricyclo[3.3.1.03,9]nonan-9-yl]butan-1-one
CID 162614661

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile (CID 134342108) is 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile is CC(C)c1cnn(C2(CC#N)CN(c3cccn4nc(Nc5cn[nH]c5)nc34)C2)c1.
What is the InChIKey of 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile?
The InChIKey is POWDLLIYPYXFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10/c1-14(2)15-8-24-30(11-15)20(5-6-21)12-28(13-20)17-4-3-7-29-18(17)26-19(27-29)25-16-9-22-23-10-16/h3-4,7-11,14H,5,12-13H2,1-2H3,(H,22,23)(H,25,27).
What are the key properties of 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile?
2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile has a molecular weight of 402.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 134342108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).