4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid

C16H21N3O2 — CID 172582159

IUPAC4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c2cc(CC3CCC(C(=O)O)CC3)cnc12
InChIInChI=1S/C16H21N3O2/c1-10-15-14(19(2)18-10)8-12(9-17-15)7-11-3-5-13(6-4-11)16(20)21/h8-9,11,13H,3-7H2,1-2H3,(H,20,21)
InChIKeyGFOQLWWXMMMGIJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.71
Rot. Bonds3

About 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid

4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 172582159) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID172582159
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c2cc(CC3CCC(C(=O)O)CC3)cnc12
InChIInChI=1S/C16H21N3O2/c1-10-15-14(19(2)18-10)8-12(9-17-15)7-11-3-5-13(6-4-11)16(20)21/h8-9,11,13H,3-7H2,1-2H3,(H,20,21)
InChIKeyGFOQLWWXMMMGIJ-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
CID 172581833
4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
CID 172581585
(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid
CID 141489391
4-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 102806619
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate
CID 172581610
4-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525747
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 172582162
1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile
CID 84717441
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126848203
4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
CID 126845693

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid (CID 172582159) is 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid is Cc1nn(C)c2cc(CC3CCC(C(=O)O)CC3)cnc12.
What is the InChIKey of 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GFOQLWWXMMMGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-15-14(19(2)18-10)8-12(9-17-15)7-11-3-5-13(6-4-11)16(20)21/h8-9,11,13H,3-7H2,1-2H3,(H,20,21).
What are the key properties of 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid?
4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 172582159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).