methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate

C25H21N7O3 — CID 162752778

IUPACmethyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)nn1Cc1ccc(OC)cc1
InChIInChI=1S/C25H21N7O3/c1-30-14-19(12-27-30)17-8-21(24-18(10-26)11-28-32(24)15-17)22-9-23(25(33)35-3)31(29-22)13-16-4-6-20(34-2)7-5-16/h4-9,11-12,14-15H,13H2,1-3H3
InChIKeyKBIKFQUSOLQNSZ-UHFFFAOYSA-N
MW467.49 g/mol
LogP3.31
Rot. Bonds6

About methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate

methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate (PubChem CID 162752778) has the molecular formula C25H21N7O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
PubChem CID162752778
Molecular FormulaC25H21N7O3
Molecular Weight467.49 g/mol
Exact Mass467.17
IUPAC Namemethyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)nn1Cc1ccc(OC)cc1
InChIInChI=1S/C25H21N7O3/c1-30-14-19(12-27-30)17-8-21(24-18(10-26)11-28-32(24)15-17)22-9-23(25(33)35-3)31(29-22)13-16-4-6-20(34-2)7-5-16/h4-9,11-12,14-15H,13H2,1-3H3
InChIKeyKBIKFQUSOLQNSZ-UHFFFAOYSA-N
XLogP3.31
TPSA112.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The IUPAC name of methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate (CID 162752778) is methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate is COC(=O)c1cc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)nn1Cc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The InChIKey is KBIKFQUSOLQNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O3/c1-30-14-19(12-27-30)17-8-21(24-18(10-26)11-28-32(24)15-17)22-9-23(25(33)35-3)31(29-22)13-16-4-6-20(34-2)7-5-16/h4-9,11-12,14-15H,13H2,1-3H3.
What are the key properties of methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate has a molecular weight of 467.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate is sourced from PubChem (CID 162752778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).