1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid

C17H20N4O3 — CID 140932725

IUPAC1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
SMILESCc1nc(N2C[C@@H]3C(CO)[C@@H]3C2)ccc1Cn1cc(C(=O)O)cn1
InChIInChI=1S/C17H20N4O3/c1-10-11(5-21-6-12(4-18-21)17(23)24)2-3-16(19-10)20-7-13-14(8-20)15(13)9-22/h2-4,6,13-15,22H,5,7-9H2,1H3,(H,23,24)/t13-,14+,15?
InChIKeyBBCVEVRYJPISKZ-YIONKMFJSA-N
MW328.37 g/mol
LogP1.01
Rot. Bonds5

About 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid

1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid (PubChem CID 140932725) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
PubChem CID140932725
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
SMILESCc1nc(N2C[C@@H]3C(CO)[C@@H]3C2)ccc1Cn1cc(C(=O)O)cn1
InChIInChI=1S/C17H20N4O3/c1-10-11(5-21-6-12(4-18-21)17(23)24)2-3-16(19-10)20-7-13-14(8-20)15(13)9-22/h2-4,6,13-15,22H,5,7-9H2,1H3,(H,23,24)/t13-,14+,15?
InChIKeyBBCVEVRYJPISKZ-YIONKMFJSA-N
XLogP1.01
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid with MolForge

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Related Compounds

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-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 129097296
1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 153404058
[3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 153453437
lithium 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 162326679
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-hydroxyethyl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826350
1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 153453441
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[(1S)-1-hydroxyethyl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826513
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826287
(2,2,2-trifluoroacetyl) 1-[[2-methyl-6-[(1R,5S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 166706587
2-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]triazole-4-carboxylic acid
CID 146371843
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156825859

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 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) is 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid is Cc1nc(N2C[C@@H]3C(CO)[C@@H]3C2)ccc1Cn1cc(C(=O)O)cn1.
What is the InChIKey of 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is BBCVEVRYJPISKZ-YIONKMFJSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-11(5-21-6-12(4-18-21)17(23)24)2-3-16(19-10)20-7-13-14(8-20)15(13)9-22/h2-4,6,13-15,22H,5,7-9H2,1H3,(H,23,24)/t13-,14+,15?.
What are the key properties of 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?
1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 140932725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).