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

C13H16N4O2 — CID 79821700

IUPAC1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESNc1ccc2[nH]c(CC3(C(=O)O)CCCC3)nc2n1
InChIInChI=1S/C13H16N4O2/c14-9-4-3-8-11(16-9)17-10(15-8)7-13(12(18)19)5-1-2-6-13/h3-4H,1-2,5-7H2,(H,18,19)(H3,14,15,16,17)
InChIKeyCBFFQVXVHVCPER-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.73
Rot. Bonds3

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

1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 79821700) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID79821700
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESNc1ccc2[nH]c(CC3(C(=O)O)CCCC3)nc2n1
InChIInChI=1S/C13H16N4O2/c14-9-4-3-8-11(16-9)17-10(15-8)7-13(12(18)19)5-1-2-6-13/h3-4H,1-2,5-7H2,(H,18,19)(H3,14,15,16,17)
InChIKeyCBFFQVXVHVCPER-UHFFFAOYSA-N
XLogP1.73
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7H-purin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 114401818
1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81432741
1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 54920062
1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 63723313
2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821185
2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 164522178
2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid
CID 79817625
1-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 62733214
2-(5-aminopentyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820779
2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821394
2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
CID 79820848
2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821282

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid (CID 79821700) is 1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid is Nc1ccc2[nH]c(CC3(C(=O)O)CCCC3)nc2n1.
What is the InChIKey of 1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is CBFFQVXVHVCPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-9-4-3-8-11(16-9)17-10(15-8)7-13(12(18)19)5-1-2-6-13/h3-4H,1-2,5-7H2,(H,18,19)(H3,14,15,16,17).
What are the key properties of 1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79821700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).