6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine

C9H7ClN6O — CID 106406104

IUPAC6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Cl)cnc2n1Cc1ncon1
InChIInChI=1S/C9H7ClN6O/c10-5-1-6-8(12-2-5)16(9(11)14-6)3-7-13-4-17-15-7/h1-2,4H,3H2,(H2,11,14)
InChIKeyYXGPBDGRGJUADH-UHFFFAOYSA-N
MW250.65 g/mol
LogP1.10
Rot. Bonds2

About 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine

6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 106406104) has the molecular formula C9H7ClN6O and a molecular weight of 250.65 g/mol. Its IUPAC name is 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID106406104
Molecular FormulaC9H7ClN6O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Cl)cnc2n1Cc1ncon1
InChIInChI=1S/C9H7ClN6O/c10-5-1-6-8(12-2-5)16(9(11)14-6)3-7-13-4-17-15-7/h1-2,4H,3H2,(H2,11,14)
InChIKeyYXGPBDGRGJUADH-UHFFFAOYSA-N
XLogP1.10
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106406257
3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106407016
6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
6-chloro-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699389
6-chloro-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 113475644
6-chloro-3-[[1-(dimethylamino)cyclopentyl]methyl]imidazo[4,5-b]pyridin-2-amine
CID 83114633
5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine
CID 106406137
4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 82151480
6-chloro-3-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106105696
4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 82151478
6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114184770
2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine
CID 106408031

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine (CID 106406104) is 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Cl)cnc2n1Cc1ncon1.
What is the InChIKey of 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is YXGPBDGRGJUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6O/c10-5-1-6-8(12-2-5)16(9(11)14-6)3-7-13-4-17-15-7/h1-2,4H,3H2,(H2,11,14).
What are the key properties of 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 250.65 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 106406104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).