1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

C17H25F3N4O2 — CID 128998483

IUPAC1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)NCC1CCCCO1
InChIInChI=1S/C17H25F3N4O2/c1-23(16(25)21-8-13-4-2-3-7-26-13)9-12-5-6-15-22-14(17(18,19)20)11-24(15)10-12/h11-13H,2-10H2,1H3,(H,21,25)
InChIKeyVUELODNFOUYZAR-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.67
Rot. Bonds4

About 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 128998483) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID128998483
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)NCC1CCCCO1
InChIInChI=1S/C17H25F3N4O2/c1-23(16(25)21-8-13-4-2-3-7-26-13)9-12-5-6-15-22-14(17(18,19)20)11-24(15)10-12/h11-13H,2-10H2,1H3,(H,21,25)
InChIKeyVUELODNFOUYZAR-UHFFFAOYSA-N
XLogP2.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129330219
2-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 128967137
1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129338807
1-methyl-3-(oxan-4-yl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128998409
2-N-methyl-2-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2,5-dicarboxamide
CID 129333834
N-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 129339105
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129328656
N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]morpholine-2-carboxamide
CID 128966473
N-methyl-5-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 129332582
1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129342140
N,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-3-carboxamide
CID 129333228
1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128966597

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 128998483) is 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is CN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)NCC1CCCCO1.
What is the InChIKey of 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is VUELODNFOUYZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-23(16(25)21-8-13-4-2-3-7-26-13)9-12-5-6-15-22-14(17(18,19)20)11-24(15)10-12/h11-13H,2-10H2,1H3,(H,21,25).
What are the key properties of 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 374.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 128998483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).