N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C25H17ClF2N4O2 — CID 118142849

IUPACN-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H17ClF2N4O2/c1-14-23(25(33)31-20-9-10-29-21-12-15(26)7-8-16(20)21)32-11-3-6-22(24(32)30-14)34-13-17-18(27)4-2-5-19(17)28/h2-12H,13H2,1H3,(H,29,31,33)
InChIKeyKIRFKZVMPPMMOO-UHFFFAOYSA-N
MW478.89 g/mol
LogP5.95
Rot. Bonds5

About N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118142849) has the molecular formula C25H17ClF2N4O2 and a molecular weight of 478.89 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118142849
Molecular FormulaC25H17ClF2N4O2
Molecular Weight478.89 g/mol
Exact Mass478.10
IUPAC NameN-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H17ClF2N4O2/c1-14-23(25(33)31-20-9-10-29-21-12-15(26)7-8-16(20)21)32-11-3-6-22(24(32)30-14)34-13-17-18(27)4-2-5-19(17)28/h2-12H,13H2,1H3,(H,29,31,33)
InChIKeyKIRFKZVMPPMMOO-UHFFFAOYSA-N
XLogP5.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.89
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118142849) is N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KIRFKZVMPPMMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF2N4O2/c1-14-23(25(33)31-20-9-10-29-21-12-15(26)7-8-16(20)21)32-11-3-6-22(24(32)30-14)34-13-17-18(27)4-2-5-19(17)28/h2-12H,13H2,1H3,(H,29,31,33).
What are the key properties of N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 478.89 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118142849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).