2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

C24H20F2N6O3 — CID 175044771

IUPAC2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
SMILESCc1ccn2c(CC3CN(C(=O)O)CCO3)c(-c3c(F)cc(-n4cnc(C#N)c4)cc3F)nc2c1
InChIInChI=1S/C24H20F2N6O3/c1-14-2-3-32-20(9-17-12-30(24(33)34)4-5-35-17)23(29-21(32)6-14)22-18(25)7-16(8-19(22)26)31-11-15(10-27)28-13-31/h2-3,6-8,11,13,17H,4-5,9,12H2,1H3,(H,33,34)
InChIKeyTXCDWOIJJKUJFT-UHFFFAOYSA-N
MW478.46 g/mol
LogP3.57
Rot. Bonds4

About 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (PubChem CID 175044771) has the molecular formula C24H20F2N6O3 and a molecular weight of 478.46 g/mol. Its IUPAC name is 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
PubChem CID175044771
Molecular FormulaC24H20F2N6O3
Molecular Weight478.46 g/mol
Exact Mass478.16
IUPAC Name2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
SMILESCc1ccn2c(CC3CN(C(=O)O)CCO3)c(-c3c(F)cc(-n4cnc(C#N)c4)cc3F)nc2c1
InChIInChI=1S/C24H20F2N6O3/c1-14-2-3-32-20(9-17-12-30(24(33)34)4-5-35-17)23(29-21(32)6-14)22-18(25)7-16(8-19(22)26)31-11-15(10-27)28-13-31/h2-3,6-8,11,13,17H,4-5,9,12H2,1H3,(H,33,34)
InChIKeyTXCDWOIJJKUJFT-UHFFFAOYSA-N
XLogP3.57
TPSA108.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S)-2-[[2-[2,6-difluoro-4-(4-methoxyimidazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965015
2-[[2-[4-(2,5-dioxopyrrolidin-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175041705
methyl (2S)-2-[[2-[4-(3-cyanopyrrol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965274
2-[[2-[2,6-difluoro-4-(methylcarbamoyloxy)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175039705
(2S)-2-[[2-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175363014
2-[[2-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175363015
1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid
CID 166774987
2-[[2-[2,6-difluoro-4-(methoxycarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175167830
(2S)-2-[[2-[2,6-difluoro-4-(oxan-4-ylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769697
(2S)-2-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175437897
(2S)-2-[[2-[4-[(1-aminoethylideneamino)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175203989
(2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769586

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (CID 175044771) is 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is Cc1ccn2c(CC3CN(C(=O)O)CCO3)c(-c3c(F)cc(-n4cnc(C#N)c4)cc3F)nc2c1.
What is the InChIKey of 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
The InChIKey is TXCDWOIJJKUJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O3/c1-14-2-3-32-20(9-17-12-30(24(33)34)4-5-35-17)23(29-21(32)6-14)22-18(25)7-16(8-19(22)26)31-11-15(10-27)28-13-31/h2-3,6-8,11,13,17H,4-5,9,12H2,1H3,(H,33,34).
What are the key properties of 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid has a molecular weight of 478.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-cyanoimidazol-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 175044771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).