4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C12H10BrClN6O — CID 87862095

IUPAC4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2c(Cl)ncc(Br)c2n1CC1CC1
InChIInChI=1S/C12H10BrClN6O/c13-6-3-16-10(14)7-9(6)20(4-5-1-2-5)12(17-7)8-11(15)19-21-18-8/h3,5H,1-2,4H2,(H2,15,19)
InChIKeyPEXJVQSYZAZLBA-UHFFFAOYSA-N
MW369.61 g/mol
LogP2.89
Rot. Bonds3

About 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 87862095) has the molecular formula C12H10BrClN6O and a molecular weight of 369.61 g/mol. Its IUPAC name is 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID87862095
Molecular FormulaC12H10BrClN6O
Molecular Weight369.61 g/mol
Exact Mass367.98
IUPAC Name4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2c(Cl)ncc(Br)c2n1CC1CC1
InChIInChI=1S/C12H10BrClN6O/c13-6-3-16-10(14)7-9(6)20(4-5-1-2-5)12(17-7)8-11(15)19-21-18-8/h3,5H,1-2,4H2,(H2,15,19)
InChIKeyPEXJVQSYZAZLBA-UHFFFAOYSA-N
XLogP2.89
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.61
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 87640710
4-[4-(2-chlorophenyl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 68974018
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
4-(4,6-dichloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59868395
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-ol
CID 69299704
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68898817
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 68901919
1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine
CID 173211841
4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11327555
4-[4-(2,3-dichlorophenyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 141110984
4-[1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 66576994
[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid
CID 68969988

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 87862095) is 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2c(Cl)ncc(Br)c2n1CC1CC1.
What is the InChIKey of 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is PEXJVQSYZAZLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN6O/c13-6-3-16-10(14)7-9(6)20(4-5-1-2-5)12(17-7)8-11(15)19-21-18-8/h3,5H,1-2,4H2,(H2,15,19).
What are the key properties of 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 369.61 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-bromo-4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 87862095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).