5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

C23H23ClF2N6O2 — CID 134455645

IUPAC5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ccn(C)n1
InChIInChI=1S/C23H23ClF2N6O2/c1-31-10-9-14(30-31)13-6-5-7-15(20(13)33-2)27-16-12-17(24)28-22-19(16)29-23(21(25)26)32(22)18-8-3-4-11-34-18/h5-7,9-10,12,18,21H,3-4,8,11H2,1-2H3,(H,27,28)
InChIKeyXQVKCFNSFXSCHN-UHFFFAOYSA-N
MW488.93 g/mol
LogP5.87
Rot. Bonds6

About 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134455645) has the molecular formula C23H23ClF2N6O2 and a molecular weight of 488.93 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
PubChem CID134455645
Molecular FormulaC23H23ClF2N6O2
Molecular Weight488.93 g/mol
Exact Mass488.15
IUPAC Name5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ccn(C)n1
InChIInChI=1S/C23H23ClF2N6O2/c1-31-10-9-14(30-31)13-6-5-7-15(20(13)33-2)27-16-12-17(24)28-22-19(16)29-23(21(25)26)32(22)18-8-3-4-11-34-18/h5-7,9-10,12,18,21H,3-4,8,11H2,1-2H3,(H,27,28)
InChIKeyXQVKCFNSFXSCHN-UHFFFAOYSA-N
XLogP5.87
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134455645) is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ccn(C)n1.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is XQVKCFNSFXSCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N6O2/c1-31-10-9-14(30-31)13-6-5-7-15(20(13)33-2)27-16-12-17(24)28-22-19(16)29-23(21(25)26)32(22)18-8-3-4-11-34-18/h5-7,9-10,12,18,21H,3-4,8,11H2,1-2H3,(H,27,28).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 488.93 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134455645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).