1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid

C16H21N3O2 — CID 63723313

IUPAC1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid
SMILESCc1ccnc2nc(CC3(C(=O)O)CCCCCC3)[nH]c12
InChIInChI=1S/C16H21N3O2/c1-11-6-9-17-14-13(11)18-12(19-14)10-16(15(20)21)7-4-2-3-5-8-16/h6,9H,2-5,7-8,10H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyOEOKXRCSIBTPIN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.23
Rot. Bonds3

About 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid

1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid (PubChem CID 63723313) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid
PubChem CID63723313
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid
SMILESCc1ccnc2nc(CC3(C(=O)O)CCCCCC3)[nH]c12
InChIInChI=1S/C16H21N3O2/c1-11-6-9-17-14-13(11)18-12(19-14)10-16(15(20)21)7-4-2-3-5-8-16/h6,9H,2-5,7-8,10H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyOEOKXRCSIBTPIN-UHFFFAOYSA-N
XLogP3.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7H-purin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 114401818
ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate
CID 79471338
1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 79821700
N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
CID 63724851
1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81432741
2-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 80741042
1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423213
N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 55230581
1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 54920062
2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 63725024
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 55228667

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid (CID 63723313) is 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid is Cc1ccnc2nc(CC3(C(=O)O)CCCCCC3)[nH]c12.
What is the InChIKey of 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid?
The InChIKey is OEOKXRCSIBTPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-9-17-14-13(11)18-12(19-14)10-16(15(20)21)7-4-2-3-5-8-16/h6,9H,2-5,7-8,10H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid?
1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63723313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).