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

C25H17F3N4O2 — CID 118144831

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1ccnc2c(F)cccc12
InChIInChI=1S/C25H17F3N4O2/c1-14-23(25(33)31-20-10-11-29-22-15(20)5-2-8-19(22)28)32-12-4-9-21(24(32)30-14)34-13-16-17(26)6-3-7-18(16)27/h2-12H,13H2,1H3,(H,29,31,33)
InChIKeyTUOXRYMAXXRDAQ-UHFFFAOYSA-N
MW462.43 g/mol
LogP5.44
Rot. Bonds5

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

8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118144831) has the molecular formula C25H17F3N4O2 and a molecular weight of 462.43 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118144831
Molecular FormulaC25H17F3N4O2
Molecular Weight462.43 g/mol
Exact Mass462.13
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1ccnc2c(F)cccc12
InChIInChI=1S/C25H17F3N4O2/c1-14-23(25(33)31-20-10-11-29-22-15(20)5-2-8-19(22)28)32-12-4-9-21(24(32)30-14)34-13-16-17(26)6-3-7-18(16)27/h2-12H,13H2,1H3,(H,29,31,33)
InChIKeyTUOXRYMAXXRDAQ-UHFFFAOYSA-N
XLogP5.44
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 90286489
Gsk-588045
CID 11655728
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 11712756
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone
CID 11720815
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)picolinamide
CID 44581247
azetidin-1-yl-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]methanone
CID 46899638
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-pyrrolidin-1-ylmethanone
CID 46899639
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone
CID 46899640
1-(6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl)ethanone
CID 46900612
N,N-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 46900776
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-N-propan-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 46900782

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118144831) is 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1ccnc2c(F)cccc12.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is TUOXRYMAXXRDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O2/c1-14-23(25(33)31-20-10-11-29-22-15(20)5-2-8-19(22)28)32-12-4-9-21(24(32)30-14)34-13-16-17(26)6-3-7-18(16)27/h2-12H,13H2,1H3,(H,29,31,33).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118144831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).