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

C26H29N9 — CID 172585053

IUPAC3-[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
SMILESCc1ccc(Cn2nc(N3CCN(c4cnn5cc(-c6cnn(C)c6)ccc45)CC3)nc2C)cc1
InChIInChI=1S/C26H29N9/c1-19-4-6-21(7-5-19)16-34-20(2)29-26(30-34)33-12-10-32(11-13-33)25-15-28-35-18-22(8-9-24(25)35)23-14-27-31(3)17-23/h4-9,14-15,17-18H,10-13,16H2,1-3H3
InChIKeyVWVZHEGUKRBOJI-UHFFFAOYSA-N
MW467.58 g/mol
LogP3.32
Rot. Bonds5

About 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

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 (PubChem CID 172585053) has the molecular formula C26H29N9 and a molecular weight of 467.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID172585053
Molecular FormulaC26H29N9
Molecular Weight467.58 g/mol
Exact Mass467.25
IUPAC Name3-[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
SMILESCc1ccc(Cn2nc(N3CCN(c4cnn5cc(-c6cnn(C)c6)ccc45)CC3)nc2C)cc1
InChIInChI=1S/C26H29N9/c1-19-4-6-21(7-5-19)16-34-20(2)29-26(30-34)33-12-10-32(11-13-33)25-15-28-35-18-22(8-9-24(25)35)23-14-27-31(3)17-23/h4-9,14-15,17-18H,10-13,16H2,1-3H3
InChIKeyVWVZHEGUKRBOJI-UHFFFAOYSA-N
XLogP3.32
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-(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-[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
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
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
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
4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
CID 172585194
(2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172585105
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
(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
1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
CID 172585301

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(Cn2nc(N3CCN(c4cnn5cc(-c6cnn(C)c6)ccc45)CC3)nc2C)cc1.
What is the InChIKey of 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?
The InChIKey is VWVZHEGUKRBOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9/c1-19-4-6-21(7-5-19)16-34-20(2)29-26(30-34)33-12-10-32(11-13-33)25-15-28-35-18-22(8-9-24(25)35)23-14-27-31(3)17-23/h4-9,14-15,17-18H,10-13,16H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 467.58 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172585053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).