4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid

C22H19N7O3 — CID 135150062

IUPAC4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCc1cc(-c2cc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)c3c(C#N)cnn3c2)on1
InChIInChI=1S/C22H19N7O3/c1-14-8-19(32-26-14)16-9-18(21-17(10-23)12-25-29(21)13-16)15-2-3-20(24-11-15)27-4-6-28(7-5-27)22(30)31/h2-3,8-9,11-13H,4-7H2,1H3,(H,30,31)
InChIKeyMEPDJFPWPRACLE-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.03
Rot. Bonds3

About 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 135150062) has the molecular formula C22H19N7O3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID135150062
Molecular FormulaC22H19N7O3
Molecular Weight429.44 g/mol
Exact Mass429.15
IUPAC Name4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCc1cc(-c2cc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)c3c(C#N)cnn3c2)on1
InChIInChI=1S/C22H19N7O3/c1-14-8-19(32-26-14)16-9-18(21-17(10-23)12-25-29(21)13-16)15-2-3-20(24-11-15)27-4-6-28(7-5-27)22(30)31/h2-3,8-9,11-13H,4-7H2,1H3,(H,30,31)
InChIKeyMEPDJFPWPRACLE-UHFFFAOYSA-N
XLogP3.03
TPSA123.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[3-cyano-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 135150155
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740279
4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 134496357
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
4-[6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 135150193
4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155776171
6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660508
4-[6-[4-[(3R)-3-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740388
4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 126740404
4-[6-[4-(3-fluoropyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740138
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid (CID 135150062) is 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid is Cc1cc(-c2cc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)c3c(C#N)cnn3c2)on1.
What is the InChIKey of 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is MEPDJFPWPRACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O3/c1-14-8-19(32-26-14)16-9-18(21-17(10-23)12-25-29(21)13-16)15-2-3-20(24-11-15)27-4-6-28(7-5-27)22(30)31/h2-3,8-9,11-13H,4-7H2,1H3,(H,30,31).
What are the key properties of 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 429.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 135150062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).