N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide

C23H23F3N4O2 — CID 162375023

IUPACN-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(C(=O)NC4CC4)c(F)c3F)nc2c1
InChIInChI=1S/C23H23F3N4O2/c1-12-4-6-30-17(9-14-11-27-5-7-32-14)22(29-18(30)8-12)19-16(24)10-15(20(25)21(19)26)23(31)28-13-2-3-13/h4,6,8,10,13-14,27H,2-3,5,7,9,11H2,1H3,(H,28,31)/t14-/m0/s1
InChIKeyTXEYVUSSWQCYAY-AWEZNQCLSA-N
MW444.46 g/mol
LogP3.15
Rot. Bonds5

About N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide

N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 162375023) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID162375023
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC NameN-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(C(=O)NC4CC4)c(F)c3F)nc2c1
InChIInChI=1S/C23H23F3N4O2/c1-12-4-6-30-17(9-14-11-27-5-7-32-14)22(29-18(30)8-12)19-16(24)10-15(20(25)21(19)26)23(31)28-13-2-3-13/h4,6,8,10,13-14,27H,2-3,5,7,9,11H2,1H3,(H,28,31)/t14-/m0/s1
InChIKeyTXEYVUSSWQCYAY-AWEZNQCLSA-N
XLogP3.15
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride
CID 162374967
1-[3-fluoro-5-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]ethanone
CID 177064297
(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154964970
1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
CID 154965100
1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
CID 166775025
methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
CID 156827636
tert-butyl (2S)-2-[[7-methyl-2-[2,3,6-trifluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162374988
2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154965270
N-[4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]acetamide
CID 156904792
(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
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-[4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175169250

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 162375023) is N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide is Cc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(C(=O)NC4CC4)c(F)c3F)nc2c1.
What is the InChIKey of N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is TXEYVUSSWQCYAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-12-4-6-30-17(9-14-11-27-5-7-32-14)22(29-18(30)8-12)19-16(24)10-15(20(25)21(19)26)23(31)28-13-2-3-13/h4,6,8,10,13-14,27H,2-3,5,7,9,11H2,1H3,(H,28,31)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide?
N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 444.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 162375023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).