2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

C12H17N5 — CID 79821707

IUPAC2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(CC3(N)CCCC3)nc2n1
InChIInChI=1S/C12H17N5/c13-9-4-3-8-11(16-9)17-10(15-8)7-12(14)5-1-2-6-12/h3-4H,1-2,5-7,14H2,(H3,13,15,16,17)
InChIKeyXYLLVDWTMNXRND-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.35
Rot. Bonds2

About 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821707) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821707
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(CC3(N)CCCC3)nc2n1
InChIInChI=1S/C12H17N5/c13-9-4-3-8-11(16-9)17-10(15-8)7-12(14)5-1-2-6-12/h3-4H,1-2,5-7,14H2,(H3,13,15,16,17)
InChIKeyXYLLVDWTMNXRND-UHFFFAOYSA-N
XLogP1.35
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821707) is 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(CC3(N)CCCC3)nc2n1.
What is the InChIKey of 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is XYLLVDWTMNXRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-9-4-3-8-11(16-9)17-10(15-8)7-12(14)5-1-2-6-12/h3-4H,1-2,5-7,14H2,(H3,13,15,16,17).
What are the key properties of 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 231.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).