(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one

C27H33F2N3O3 — CID 149291733

IUPAC(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one
SMILESCCCC[C@@H](CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12)CN1CCOCC1
InChIInChI=1S/C27H33F2N3O3/c1-3-4-7-20(17-31-12-14-34-15-13-31)16-24(33)26-19(2)30-27-25(10-6-11-32(26)27)35-18-21-22(28)8-5-9-23(21)29/h5-6,8-11,20H,3-4,7,12-18H2,1-2H3/t20-/m0/s1
InChIKeyXUZILHDWHSHPSA-FQEVSTJZSA-N
MW485.58 g/mol
LogP5.21
Rot. Bonds11

About (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one

(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one (PubChem CID 149291733) has the molecular formula C27H33F2N3O3 and a molecular weight of 485.58 g/mol. Its IUPAC name is (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one.

Molecular Properties

Compound Name(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one
PubChem CID149291733
Molecular FormulaC27H33F2N3O3
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC Name(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one
SMILESCCCC[C@@H](CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12)CN1CCOCC1
InChIInChI=1S/C27H33F2N3O3/c1-3-4-7-20(17-31-12-14-34-15-13-31)16-24(33)26-19(2)30-27-25(10-6-11-32(26)27)35-18-21-22(28)8-5-9-23(21)29/h5-6,8-11,20H,3-4,7,12-18H2,1-2H3/t20-/m0/s1
InChIKeyXUZILHDWHSHPSA-FQEVSTJZSA-N
XLogP5.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one with MolForge

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Related Compounds

1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
2-[1-[[6-(Cyclopropylmethoxy)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxocinnolin-3-yl]propanoic acid
CID 151463815
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
Aminoimidazo[1,2-a]pyridine deriv. 22
CID 5330640
Aminoimidazo[1,2-a]pyridine deriv. 23
CID 5330641
2-(8-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10546805
2-(6-Methoxy-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10690208
Ethyl 2,3-dimethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxylate
CID 9946403
(12S)-N,N,4,5-tetramethyl-12-(2-methylphenyl)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11245432

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one?
The IUPAC name of (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one (CID 149291733) is (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one.
What is the SMILES notation for (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one?
The canonical SMILES for (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one is CCCC[C@@H](CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12)CN1CCOCC1.
What is the InChIKey of (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one?
The InChIKey is XUZILHDWHSHPSA-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H33F2N3O3/c1-3-4-7-20(17-31-12-14-34-15-13-31)16-24(33)26-19(2)30-27-25(10-6-11-32(26)27)35-18-21-22(28)8-5-9-23(21)29/h5-6,8-11,20H,3-4,7,12-18H2,1-2H3/t20-/m0/s1.
What are the key properties of (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one?
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one has a molecular weight of 485.58 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one is sourced from PubChem (CID 149291733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).