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

C15H19F3N6O — CID 129339762

IUPAC1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESO=C(NCCn1cccn1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H19F3N6O/c16-15(17,18)12-10-23-9-11(2-3-13(23)22-12)8-20-14(25)19-5-7-24-6-1-4-21-24/h1,4,6,10-11H,2-3,5,7-9H2,(H2,19,20,25)/t11-/m0/s1
InChIKeyWHUXMZMCINHNGP-NSHDSACASA-N
MW356.35 g/mol
LogP1.66
Rot. Bonds5

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

1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129339762) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129339762
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESO=C(NCCn1cccn1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H19F3N6O/c16-15(17,18)12-10-23-9-11(2-3-13(23)22-12)8-20-14(25)19-5-7-24-6-1-4-21-24/h1,4,6,10-11H,2-3,5,7-9H2,(H2,19,20,25)/t11-/m0/s1
InChIKeyWHUXMZMCINHNGP-NSHDSACASA-N
XLogP1.66
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyrazol-1-ylethyl)-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339761
1-pyridin-2-yl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129005982
1-pyridin-2-yl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129330660
1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129333227
1-(2-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129327730
2-(1-methylpyrazol-4-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 124737660
1-(1,3-thiazol-4-ylmethyl)-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129340100
1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129340101
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129004435
3,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-4-carboxamide
CID 129329002
5-ethyl-3-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-4-carboxamide
CID 129341502
N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide
CID 128998420

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129339762) is 1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is O=C(NCCn1cccn1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is WHUXMZMCINHNGP-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F3N6O/c16-15(17,18)12-10-23-9-11(2-3-13(23)22-12)8-20-14(25)19-5-7-24-6-1-4-21-24/h1,4,6,10-11H,2-3,5,7-9H2,(H2,19,20,25)/t11-/m0/s1.
What are the key properties of 1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 356.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129339762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).