4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid

C17H22N4O3 — CID 129073613

IUPAC4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H22N4O3/c1-10-7-13(17(24)5-3-12(4-6-17)16(22)23)18-14(8-10)19-15-9-11(2)20-21-15/h7-9,12,24H,3-6H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeyLGCXPBOWNRBDNO-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.63
Rot. Bonds4

About 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid (PubChem CID 129073613) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid
PubChem CID129073613
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H22N4O3/c1-10-7-13(17(24)5-3-12(4-6-17)16(22)23)18-14(8-10)19-15-9-11(2)20-21-15/h7-9,12,24H,3-6H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeyLGCXPBOWNRBDNO-UHFFFAOYSA-N
XLogP2.63
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-hydroxy-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxylic acid
CID 90372748
2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 175150650
6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 154684827
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
3-fluoro-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
CID 158653804
4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol
CID 144988103
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutane-1-carboxamide
CID 130433094
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468
4-hydroxy-4-[5-[3-methyl-5-[(4-methyl-2-pyridinyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 86291063
[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone
CID 170985113

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid (CID 129073613) is 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid is Cc1cc(Nc2cc(C)[nH]n2)nc(C2(O)CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid?
The InChIKey is LGCXPBOWNRBDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-7-13(17(24)5-3-12(4-6-17)16(22)23)18-14(8-10)19-15-9-11(2)20-21-15/h7-9,12,24H,3-6H2,1-2H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 129073613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).