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

C13H19N5 — CID 79821185

IUPAC2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C3(N)CCCCCC3)nc2n1
InChIInChI=1S/C13H19N5/c14-10-6-5-9-11(17-10)18-12(16-9)13(15)7-3-1-2-4-8-13/h5-6H,1-4,7-8,15H2,(H3,14,16,17,18)
InChIKeyHKDISRGRMYESAB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.05
Rot. Bonds1

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

2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821185) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821185
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C3(N)CCCCCC3)nc2n1
InChIInChI=1S/C13H19N5/c14-10-6-5-9-11(17-10)18-12(16-9)13(15)7-3-1-2-4-8-13/h5-6H,1-4,7-8,15H2,(H3,14,16,17,18)
InChIKeyHKDISRGRMYESAB-UHFFFAOYSA-N
XLogP2.05
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821185) is 2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(C3(N)CCCCCC3)nc2n1.
What is the InChIKey of 2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is HKDISRGRMYESAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-10-6-5-9-11(17-10)18-12(16-9)13(15)7-3-1-2-4-8-13/h5-6H,1-4,7-8,15H2,(H3,14,16,17,18).
What are the key properties of 2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).