5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

C19H19ClF2N4O2 — CID 134455640

IUPAC5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1
InChIInChI=1S/C19H19ClF2N4O2/c1-27-13-7-3-2-6-11(13)23-12-10-14(20)24-18-16(12)25-19(17(21)22)26(18)15-8-4-5-9-28-15/h2-3,6-7,10,15,17H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyVQTMMOQOGLKSNA-UHFFFAOYSA-N
MW408.84 g/mol
LogP5.47
Rot. Bonds5

About 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134455640) has the molecular formula C19H19ClF2N4O2 and a molecular weight of 408.84 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
PubChem CID134455640
Molecular FormulaC19H19ClF2N4O2
Molecular Weight408.84 g/mol
Exact Mass408.12
IUPAC Name5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1
InChIInChI=1S/C19H19ClF2N4O2/c1-27-13-7-3-2-6-11(13)23-12-10-14(20)24-18-16(12)25-19(17(21)22)26(18)15-8-4-5-9-28-15/h2-3,6-7,10,15,17H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyVQTMMOQOGLKSNA-UHFFFAOYSA-N
XLogP5.47
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.84
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134455640) is 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is COc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is VQTMMOQOGLKSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O2/c1-27-13-7-3-2-6-11(13)23-12-10-14(20)24-18-16(12)25-19(17(21)22)26(18)15-8-4-5-9-28-15/h2-3,6-7,10,15,17H,4-5,8-9H2,1H3,(H,23,24).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 408.84 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134455640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).