1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

C25H25N7O2 — CID 172585251

IUPAC1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILESCC(OC(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C25H25N7O2/c1-18(20-5-3-19(13-26)4-6-20)34-25(33)31-11-9-30(10-12-31)24-15-28-32-17-21(7-8-23(24)32)22-14-27-29(2)16-22/h3-8,14-18H,9-12H2,1-2H3
InChIKeyVWTVEKHRSVDVEN-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (PubChem CID 172585251) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
PubChem CID172585251
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILESCC(OC(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C25H25N7O2/c1-18(20-5-3-19(13-26)4-6-20)34-25(33)31-11-9-30(10-12-31)24-15-28-32-17-21(7-8-23(24)32)22-14-27-29(2)16-22/h3-8,14-18H,9-12H2,1-2H3
InChIKeyVWTVEKHRSVDVEN-UHFFFAOYSA-N
XLogP3.63
TPSA91.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(1,1-difluoroethyl)phenyl]ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172585318
4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
CID 172585194
(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
cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 172585309
[2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172584987
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
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
(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
(2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate
CID 177117950
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The IUPAC name of 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (CID 172585251) is 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is CC(OC(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The InChIKey is VWTVEKHRSVDVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-18(20-5-3-19(13-26)4-6-20)34-25(33)31-11-9-30(10-12-31)24-15-28-32-17-21(7-8-23(24)32)22-14-27-29(2)16-22/h3-8,14-18H,9-12H2,1-2H3.
What are the key properties of 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate has a molecular weight of 455.52 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 172585251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).