4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C12H11ClN6O — CID 87640710

IUPAC4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2c(Cl)nccc2n1CC1CC1
InChIInChI=1S/C12H11ClN6O/c13-10-8-7(3-4-15-10)19(5-6-1-2-6)12(16-8)9-11(14)18-20-17-9/h3-4,6H,1-2,5H2,(H2,14,18)
InChIKeyAMZWNUKYRXHTTF-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.13
Rot. Bonds3

About 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 87640710) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID87640710
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2c(Cl)nccc2n1CC1CC1
InChIInChI=1S/C12H11ClN6O/c13-10-8-7(3-4-15-10)19(5-6-1-2-6)12(16-8)9-11(14)18-20-17-9/h3-4,6H,1-2,5H2,(H2,14,18)
InChIKeyAMZWNUKYRXHTTF-UHFFFAOYSA-N
XLogP2.13
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-chlorophenyl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 68974018
4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 87862095
2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile
CID 76852816
4-[4-(2,3-dichlorophenyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 141110984
4-(4,6-dichloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59868395
4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 10308401
4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 10149349
4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
CID 69299663
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropyl-tert-butylcarbamic acid
CID 71651163
(3R)-3-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 87772102
4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine
CID 68883909

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 87640710) is 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2c(Cl)nccc2n1CC1CC1.
What is the InChIKey of 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is AMZWNUKYRXHTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c13-10-8-7(3-4-15-10)19(5-6-1-2-6)12(16-8)9-11(14)18-20-17-9/h3-4,6H,1-2,5H2,(H2,14,18).
What are the key properties of 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 290.71 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 87640710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).