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

C19H18ClF3N4O2 — CID 134455447

IUPAC5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(F)cccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1
InChIInChI=1S/C19H18ClF3N4O2/c1-28-16-10(21)5-4-6-11(16)24-12-9-13(20)25-18-15(12)26-19(17(22)23)27(18)14-7-2-3-8-29-14/h4-6,9,14,17H,2-3,7-8H2,1H3,(H,24,25)
InChIKeyCRWTXWXHVPQIIP-UHFFFAOYSA-N
MW426.83 g/mol
LogP5.61
Rot. Bonds5

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

5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134455447) has the molecular formula C19H18ClF3N4O2 and a molecular weight of 426.83 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
PubChem CID134455447
Molecular FormulaC19H18ClF3N4O2
Molecular Weight426.83 g/mol
Exact Mass426.11
IUPAC Name5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(F)cccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1
InChIInChI=1S/C19H18ClF3N4O2/c1-28-16-10(21)5-4-6-11(16)24-12-9-13(20)25-18-15(12)26-19(17(22)23)27(18)14-7-2-3-8-29-14/h4-6,9,14,17H,2-3,7-8H2,1H3,(H,24,25)
InChIKeyCRWTXWXHVPQIIP-UHFFFAOYSA-N
XLogP5.61
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.83
LogP ≤ 55.61
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-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134455447) is 5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is COc1c(F)cccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is CRWTXWXHVPQIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O2/c1-28-16-10(21)5-4-6-11(16)24-12-9-13(20)25-18-15(12)26-19(17(22)23)27(18)14-7-2-3-8-29-14/h4-6,9,14,17H,2-3,7-8H2,1H3,(H,24,25).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
5-chloro-2-(difluoromethyl)-N-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 426.83 g/mol, XLogP of 5.61, 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-(3-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134455447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).