1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid

C17H17N5O2 — CID 156826427

IUPAC1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid
SMILESCc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)O)c(C#N)n1
InChIInChI=1S/C17H17N5O2/c1-10-11(8-22-9-14(17(23)24)15(5-18)20-22)2-3-16(19-10)21-6-12-4-13(12)7-21/h2-3,9,12-13H,4,6-8H2,1H3,(H,23,24)
InChIKeyZNWPHDDEFHYSQP-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.66
Rot. Bonds4

About 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid (PubChem CID 156826427) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid
PubChem CID156826427
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid
SMILESCc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)O)c(C#N)n1
InChIInChI=1S/C17H17N5O2/c1-10-11(8-22-9-14(17(23)24)15(5-18)20-22)2-3-16(19-10)21-6-12-4-13(12)7-21/h2-3,9,12-13H,4,6-8H2,1H3,(H,23,24)
InChIKeyZNWPHDDEFHYSQP-UHFFFAOYSA-N
XLogP1.66
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid with MolForge

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Related Compounds

ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-bromopyrazole-4-carboxylate
CID 146371954
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide
CID 142458428
[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methoxypyrazole-4-carboxylate
CID 158489757
2-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]triazole-4-carboxylic acid
CID 146371843
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate
CID 146392251
1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylic acid
CID 146392240
3-cyano-1-propylpyrazole-4-carboxylic acid
CID 134178834
1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 140932725
1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 175835146
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide
CID 161125921
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146392355
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[(1S)-1-hydroxyethyl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826513

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid?
The IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid (CID 156826427) is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid is Cc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)O)c(C#N)n1.
What is the InChIKey of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid?
The InChIKey is ZNWPHDDEFHYSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-11(8-22-9-14(17(23)24)15(5-18)20-22)2-3-16(19-10)21-6-12-4-13(12)7-21/h2-3,9,12-13H,4,6-8H2,1H3,(H,23,24).
What are the key properties of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid?
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid has a molecular weight of 323.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid is sourced from PubChem (CID 156826427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).