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

C18H15N7O2 — CID 162752716

IUPACmethyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)nn1C
InChIInChI=1S/C18H15N7O2/c1-23-9-13(8-20-23)11-4-14(17-12(6-19)7-21-25(17)10-11)15-5-16(18(26)27-3)24(2)22-15/h4-5,7-10H,1-3H3
InChIKeyZLQPLSJINLJJDD-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.79
Rot. Bonds3

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

methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate (PubChem CID 162752716) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate
PubChem CID162752716
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Namemethyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)nn1C
InChIInChI=1S/C18H15N7O2/c1-23-9-13(8-20-23)11-4-14(17-12(6-19)7-21-25(17)10-11)15-5-16(18(26)27-3)24(2)22-15/h4-5,7-10H,1-3H3
InChIKeyZLQPLSJINLJJDD-UHFFFAOYSA-N
XLogP1.79
TPSA103.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid
CID 162752793
tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 140882208
6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164754963
N-[2-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenoxy]ethyl]prop-2-enamide
CID 171521259
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257
6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660411
4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148500655
tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 164818167
3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid
CID 175708996
3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide
CID 172705905

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-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate (CID 162752716) is methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-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-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate is COC(=O)c1cc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)nn1C.
What is the InChIKey of methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate?
The InChIKey is ZLQPLSJINLJJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-23-9-13(8-20-23)11-4-14(17-12(6-19)7-21-25(17)10-11)15-5-16(18(26)27-3)24(2)22-15/h4-5,7-10H,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-methylpyrazole-5-carboxylate?
methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate has a molecular weight of 361.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 9 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-methylpyrazole-5-carboxylate is sourced from PubChem (CID 162752716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).