1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

C15H19F3N6O — CID 128990728

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1[nH]ncc1CNC(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H19F3N6O/c1-9-11(6-21-23-9)5-20-14(25)19-4-10-2-3-13-22-12(15(16,17)18)8-24(13)7-10/h6,8,10H,2-5,7H2,1H3,(H,21,23)(H2,19,20,25)
InChIKeyAUOGFLGMJNJMCA-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.00
Rot. Bonds4

About 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 128990728) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID128990728
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1[nH]ncc1CNC(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H19F3N6O/c1-9-11(6-21-23-9)5-20-14(25)19-4-10-2-3-13-22-12(15(16,17)18)8-24(13)7-10/h6,8,10H,2-5,7H2,1H3,(H,21,23)(H2,19,20,25)
InChIKeyAUOGFLGMJNJMCA-UHFFFAOYSA-N
XLogP2.00
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 128990728) is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is Cc1[nH]ncc1CNC(=O)NCC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is AUOGFLGMJNJMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-9-11(6-21-23-9)5-20-14(25)19-4-10-2-3-13-22-12(15(16,17)18)8-24(13)7-10/h6,8,10H,2-5,7H2,1H3,(H,21,23)(H2,19,20,25).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[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 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 128990728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).