3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

C19H21N3O3 — CID 167350221

IUPAC3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCC1(C)CC(c2ccc3c(C4(C#N)CC4)c(C(=O)O)nn3c2)CCO1
InChIInChI=1S/C19H21N3O3/c1-18(2)9-12(5-8-25-18)13-3-4-14-15(19(11-20)6-7-19)16(17(23)24)21-22(14)10-13/h3-4,10,12H,5-9H2,1-2H3,(H,23,24)
InChIKeyVKANTZFXGGQBHC-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.26
Rot. Bonds3

About 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 167350221) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID167350221
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCC1(C)CC(c2ccc3c(C4(C#N)CC4)c(C(=O)O)nn3c2)CCO1
InChIInChI=1S/C19H21N3O3/c1-18(2)9-12(5-8-25-18)13-3-4-14-15(19(11-20)6-7-19)16(17(23)24)21-22(14)10-13/h3-4,10,12H,5-9H2,1-2H3,(H,23,24)
InChIKeyVKANTZFXGGQBHC-UHFFFAOYSA-N
XLogP3.26
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)indolizine-2-carboxylic acid
CID 167350443
methyl 5-(1-cyanocyclopropyl)-2-(2,2-dimethyloxan-4-yl)pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 167350114
ethyl 3-(1-cyanocyclopropyl)-7-[(4S)-2,2-dimethyloxan-4-yl]-1H-indole-2-carboxylate
CID 177195710
6-(2,2-dimethyloxan-4-yl)quinoline-4-carboxylic acid
CID 175960459
5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-[5-(oxomethylidene)-2H-1,2,4-oxadiazol-3-yl]cyclopropyl]benzimidazole-2-carboxylic acid
CID 176542045
3-(2,2-dimethyloxan-4-yl)phenol
CID 155395042
3-[(2S)-2-[5-(2,2-dimethyloxan-4-yl)-2-methylindol-1-yl]spiro[2.2]pentan-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 176944864
1-[(1S,2R)-2-cyclopropyl-1-[5-(oxomethylidene)-2H-1,2,4-oxadiazol-3-yl]cyclopropyl]-5-[(4S)-2,2-dimethyloxan-4-yl]indole-2-carboxylic acid
CID 176542046
5-[(4S)-2,2-dimethyloxan-4-yl]-3-methoxy-1-[(1S,2S)-2-methyl-1-[5-(oxomethylidene)-2H-1,2,4-oxadiazol-3-yl]cyclopropyl]indole-2-carboxylic acid
CID 176891632
ethyl 1-(1-carbamoylcyclopropyl)-5-(2,2-dimethyloxan-4-yl)indole-2-carboxylate
CID 167358634
3-[1-[6-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-[2-(oxomethylidene)-1H-imidazol-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
CID 176539247
ethyl 1-(cyanomethyl)-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate
CID 177289077

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 167350221) is 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is CC1(C)CC(c2ccc3c(C4(C#N)CC4)c(C(=O)O)nn3c2)CCO1.
What is the InChIKey of 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is VKANTZFXGGQBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-18(2)9-12(5-8-25-18)13-3-4-14-15(19(11-20)6-7-19)16(17(23)24)21-22(14)10-13/h3-4,10,12H,5-9H2,1-2H3,(H,23,24).
What are the key properties of 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 339.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyanocyclopropyl)-6-(2,2-dimethyloxan-4-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 167350221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).