2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

C26H35N5O5 — CID 175898140

IUPAC2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)C2CCCC2)ccc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C26H35N5O5/c1-15-21(29-24(32)18-10-6-7-11-19(18)25(33)34)12-13-22(28-15)20-14-27-31(3)23(20)30-26(35)36-16(2)17-8-4-5-9-17/h12-14,16-19H,4-11H2,1-3H3,(H,29,32)(H,30,35)(H,33,34)/t16-,18?,19?/m1/s1
InChIKeyWGQIPWITXYAWHI-IPJUCJBFSA-N
MW497.60 g/mol
LogP4.75
Rot. Bonds7

About 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 175898140) has the molecular formula C26H35N5O5 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID175898140
Molecular FormulaC26H35N5O5
Molecular Weight497.60 g/mol
Exact Mass497.26
IUPAC Name2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)C2CCCC2)ccc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C26H35N5O5/c1-15-21(29-24(32)18-10-6-7-11-19(18)25(33)34)12-13-22(28-15)20-14-27-31(3)23(20)30-26(35)36-16(2)17-8-4-5-9-17/h12-14,16-19H,4-11H2,1-3H3,(H,29,32)(H,30,35)(H,33,34)/t16-,18?,19?/m1/s1
InChIKeyWGQIPWITXYAWHI-IPJUCJBFSA-N
XLogP4.75
TPSA135.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

trans-tert-butyl (1S,2S)-2-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylate
CID 170081334
[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;methyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;hydrochloride
CID 167598561
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
CID 107301087
2-[[6-[4-[[6-(3,3-difluorocyclobutyl)oxypyrazin-2-yl]amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 175909876
trans-(1S,2S)-2-[[4-[4-[[(1R,2S)-2-carboxycyclohexanecarbonyl]amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51622080
[(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate
CID 175909953
cis-(1S,2S)-2-[[2-methyl-6-[1-methyl-5-[[(2R)-pentan-2-yl]oxycarbonylamino]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclohexane-1-carboxylic acid
CID 175909939
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688939
2-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 62904242
cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40641940
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
trans-(1S,3S)-3-[[6-[5-(1-cyclopropylethoxycarbonylamino)-1-methyltriazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 146574445

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 175898140) is 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)C2CCCC2)ccc1NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WGQIPWITXYAWHI-IPJUCJBFSA-N. The full InChI is InChI=1S/C26H35N5O5/c1-15-21(29-24(32)18-10-6-7-11-19(18)25(33)34)12-13-22(28-15)20-14-27-31(3)23(20)30-26(35)36-16(2)17-8-4-5-9-17/h12-14,16-19H,4-11H2,1-3H3,(H,29,32)(H,30,35)(H,33,34)/t16-,18?,19?/m1/s1.
What are the key properties of 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 497.60 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-[[(1R)-1-cyclopentylethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175898140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).