3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

C24H24ClN9 — CID 172585274

IUPAC3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccc3c(N4CCN(c5ncn(Cc6ccc(Cl)cc6)n5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H24ClN9/c1-30-15-20(12-27-30)19-4-7-22-23(13-28-34(22)16-19)31-8-10-32(11-9-31)24-26-17-33(29-24)14-18-2-5-21(25)6-3-18/h2-7,12-13,15-17H,8-11,14H2,1H3
InChIKeyXUXQVPCRERRMRK-UHFFFAOYSA-N
MW473.97 g/mol
LogP3.35
Rot. Bonds5

About 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 172585274) has the molecular formula C24H24ClN9 and a molecular weight of 473.97 g/mol. Its IUPAC name is 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID172585274
Molecular FormulaC24H24ClN9
Molecular Weight473.97 g/mol
Exact Mass473.18
IUPAC Name3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccc3c(N4CCN(c5ncn(Cc6ccc(Cl)cc6)n5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H24ClN9/c1-30-15-20(12-27-30)19-4-7-22-23(13-28-34(22)16-19)31-8-10-32(11-9-31)24-26-17-33(29-24)14-18-2-5-21(25)6-3-18/h2-7,12-13,15-17H,8-11,14H2,1H3
InChIKeyXUXQVPCRERRMRK-UHFFFAOYSA-N
XLogP3.35
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.97
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 172585053
3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585285
3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 172585226
3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol
CID 172550901
(3R)-3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]butan-1-one
CID 172585217
4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
CID 172585194
iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane
CID 172585060
3-(4-fluorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585266
3-(4-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585231
1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
CID 172585301
6-(1-methylpyrazol-4-yl)-3-[4-[2-(oxan-2-yl)-1,2,4-triazol-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyridine
CID 172585303
N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide
CID 172585163

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 172585274) is 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is Cn1cc(-c2ccc3c(N4CCN(c5ncn(Cc6ccc(Cl)cc6)n5)CC4)cnn3c2)cn1.
What is the InChIKey of 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is XUXQVPCRERRMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN9/c1-30-15-20(12-27-30)19-4-7-22-23(13-28-34(22)16-19)31-8-10-32(11-9-31)24-26-17-33(29-24)14-18-2-5-21(25)6-3-18/h2-7,12-13,15-17H,8-11,14H2,1H3.
What are the key properties of 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 473.97 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 172585274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).