2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid

C15H20N4O2 — CID 79817625

IUPAC2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid
SMILESCNc1ccc2[nH]c(CC3(CC(=O)O)CCCC3)nc2n1
InChIInChI=1S/C15H20N4O2/c1-16-11-5-4-10-14(18-11)19-12(17-10)8-15(9-13(20)21)6-2-3-7-15/h4-5H,2-3,6-9H2,1H3,(H,20,21)(H2,16,17,18,19)
InChIKeyBYXKDTFCBLSKIQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.58
Rot. Bonds5

About 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid

2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid (PubChem CID 79817625) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid
PubChem CID79817625
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid
SMILESCNc1ccc2[nH]c(CC3(CC(=O)O)CCCC3)nc2n1
InChIInChI=1S/C15H20N4O2/c1-16-11-5-4-10-14(18-11)19-12(17-10)8-15(9-13(20)21)6-2-3-7-15/h4-5H,2-3,6-9H2,1H3,(H,20,21)(H2,16,17,18,19)
InChIKeyBYXKDTFCBLSKIQ-UHFFFAOYSA-N
XLogP2.58
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid (CID 79817625) is 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid is CNc1ccc2[nH]c(CC3(CC(=O)O)CCCC3)nc2n1.
What is the InChIKey of 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is BYXKDTFCBLSKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-16-11-5-4-10-14(18-11)19-12(17-10)8-15(9-13(20)21)6-2-3-7-15/h4-5H,2-3,6-9H2,1H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 79817625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).