2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine

C21H21F2N7O — CID 166774957

IUPAC2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine
SMILESCc1ccn2c(CC3CN(C)CCO3)c(-c3c(F)cc(-n4cnnn4)cc3F)nc2c1
InChIInChI=1S/C21H21F2N7O/c1-13-3-4-29-18(10-15-11-28(2)5-6-31-15)21(25-19(29)7-13)20-16(22)8-14(9-17(20)23)30-12-24-26-27-30/h3-4,7-9,12,15H,5-6,10-11H2,1-2H3
InChIKeyQUIQMCQZDKNIBL-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.44
Rot. Bonds4

About 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine

2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine (PubChem CID 166774957) has the molecular formula C21H21F2N7O and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine
PubChem CID166774957
Molecular FormulaC21H21F2N7O
Molecular Weight425.44 g/mol
Exact Mass425.18
IUPAC Name2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine
SMILESCc1ccn2c(CC3CN(C)CCO3)c(-c3c(F)cc(-n4cnnn4)cc3F)nc2c1
InChIInChI=1S/C21H21F2N7O/c1-13-3-4-29-18(10-15-11-28(2)5-6-31-15)21(25-19(29)7-13)20-16(22)8-14(9-17(20)23)30-12-24-26-27-30/h3-4,7-9,12,15H,5-6,10-11H2,1-2H3
InChIKeyQUIQMCQZDKNIBL-UHFFFAOYSA-N
XLogP2.44
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-difluoro-N-methyl-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 166714396
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
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
1-[4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]imidazolidin-2-one
CID 162354624
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
(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-(methylcarbamoyloxy)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175039705
1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone
CID 167370634
methyl 2-[[2-(2,6-difluoro-4-methoxycarbonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 169277646
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
2-[[2-[2,6-difluoro-4-(methoxycarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175167830

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine?
The IUPAC name of 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine (CID 166774957) is 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine?
The canonical SMILES for 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine is Cc1ccn2c(CC3CN(C)CCO3)c(-c3c(F)cc(-n4cnnn4)cc3F)nc2c1.
What is the InChIKey of 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine?
The InChIKey is QUIQMCQZDKNIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O/c1-13-3-4-29-18(10-15-11-28(2)5-6-31-15)21(25-19(29)7-13)20-16(22)8-14(9-17(20)23)30-12-24-26-27-30/h3-4,7-9,12,15H,5-6,10-11H2,1-2H3.
What are the key properties of 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine?
2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine has a molecular weight of 425.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2,6-difluoro-4-(tetrazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-4-methylmorpholine is sourced from PubChem (CID 166774957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).