N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

C24H19F4N3O3 — CID 90090948

IUPACN-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C(=O)N[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C24H19F4N3O3/c1-13-22(24(33)30-19(11-32)14-4-6-15(25)7-5-14)31-10-2-3-20(23(31)29-13)34-12-16-17(26)8-9-18(27)21(16)28/h2-10,19,32H,11-12H2,1H3,(H,30,33)/t19-/m0/s1
InChIKeyGIRKZWODNJCVRO-IBGZPJMESA-N
MW473.43 g/mol
LogP4.24
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90090948) has the molecular formula C24H19F4N3O3 and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90090948
Molecular FormulaC24H19F4N3O3
Molecular Weight473.43 g/mol
Exact Mass473.14
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C(=O)N[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C24H19F4N3O3/c1-13-22(24(33)30-19(11-32)14-4-6-15(25)7-5-14)31-10-2-3-20(23(31)29-13)34-12-16-17(26)8-9-18(27)21(16)28/h2-10,19,32H,11-12H2,1H3,(H,30,33)/t19-/m0/s1
InChIKeyGIRKZWODNJCVRO-IBGZPJMESA-N
XLogP4.24
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.24
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

8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090866
8-[(2-fluoro-6-methylphenyl)methoxy]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090393
8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90091301
8-(3,3-dimethylbutoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 154474836
8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-2-hydroxy-1-(2-phenyltetrazol-5-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 163742259
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115945
2-amino-8-[(2,5-difluorophenyl)methoxy]-N-[(1R)-2-hydroxy-1-phenylethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163848577
8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86724642
[2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid
CID 90114317
[2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid
CID 90114108
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115184
(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid
CID 90116507

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 90090948) is N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C(=O)N[C@@H](CO)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GIRKZWODNJCVRO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H19F4N3O3/c1-13-22(24(33)30-19(11-32)14-4-6-15(25)7-5-14)31-10-2-3-20(23(31)29-13)34-12-16-17(26)8-9-18(27)21(16)28/h2-10,19,32H,11-12H2,1H3,(H,30,33)/t19-/m0/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 473.43 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90090948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).