N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C19H19ClF3N3O3 — CID 150005179

IUPACN-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(Cl)cc2C1)c1cn2c(n1)CCC(OCC(F)(F)F)C2
InChIInChI=1S/C19H19ClF3N3O3/c20-12-1-3-16-11(5-12)6-13(9-28-16)24-18(27)15-8-26-7-14(2-4-17(26)25-15)29-10-19(21,22)23/h1,3,5,8,13-14H,2,4,6-7,9-10H2,(H,24,27)/t13-,14?/m1/s1
InChIKeyDCCWSUPKMKAGRX-KWCCSABGSA-N
MW429.83 g/mol
LogP3.16
Rot. Bonds4

About N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 150005179) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID150005179
Molecular FormulaC19H19ClF3N3O3
Molecular Weight429.83 g/mol
Exact Mass429.11
IUPAC NameN-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(Cl)cc2C1)c1cn2c(n1)CCC(OCC(F)(F)F)C2
InChIInChI=1S/C19H19ClF3N3O3/c20-12-1-3-16-11(5-12)6-13(9-28-16)24-18(27)15-8-26-7-14(2-4-17(26)25-15)29-10-19(21,22)23/h1,3,5,8,13-14H,2,4,6-7,9-10H2,(H,24,27)/t13-,14?/m1/s1
InChIKeyDCCWSUPKMKAGRX-KWCCSABGSA-N
XLogP3.16
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-Chloro-2-(trifluoromethyl)phenoxy]ethyl]-7-(4-methyl-1H-imidazole-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
CID 68380260
N-(trans-4-fluoropiperidin-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763666
6-chloro-N-((1S,2R,4S and 1R, 2S,4R)-2-fluoro-4-hydroxycyclohexyl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763673
(R and S)-6-chloro-N-(3-methyltetrahydrofuran-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763723
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763731
(S)-6-chloro-N-(tetrahydrofuran-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763732
6-chloro-N-(trans-4-hydroxycyclohexyl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763745
(R and S)-6-chloro-N-(3-methyltetrahydro-2H-pyran-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763674
6-chloro-N-((3S,4R)-4-fluorotetrahydrofuran-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763678
(6-Chloro-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridin-2-yl)(3,3,4-trimethylpiperazin-1-yl)methanone
CID 162763688
N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763693
6-chloro-N-(2-cyano-2-methylpropyl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763711

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 150005179) is N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1COc2ccc(Cl)cc2C1)c1cn2c(n1)CCC(OCC(F)(F)F)C2.
What is the InChIKey of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DCCWSUPKMKAGRX-KWCCSABGSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3/c20-12-1-3-16-11(5-12)6-13(9-28-16)24-18(27)15-8-26-7-14(2-4-17(26)25-15)29-10-19(21,22)23/h1,3,5,8,13-14H,2,4,6-7,9-10H2,(H,24,27)/t13-,14?/m1/s1.
What are the key properties of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 429.83 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 150005179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).