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

C16H21F3N6O — CID 129329128

IUPAC1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NCc1ccnn1C
InChIInChI=1S/C16H21F3N6O/c1-23(15(26)20-7-12-5-6-21-24(12)2)8-11-3-4-14-22-13(16(17,18)19)10-25(14)9-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,20,26)/t11-/m0/s1
InChIKeyDJWYXUDPKJNOAP-NSHDSACASA-N
MW370.38 g/mol
LogP2.04
Rot. Bonds4

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

1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129329128) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129329128
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NCc1ccnn1C
InChIInChI=1S/C16H21F3N6O/c1-23(15(26)20-7-12-5-6-21-24(12)2)8-11-3-4-14-22-13(16(17,18)19)10-25(14)9-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,20,26)/t11-/m0/s1
InChIKeyDJWYXUDPKJNOAP-NSHDSACASA-N
XLogP2.04
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129329128) is 1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NCc1ccnn1C.
What is the InChIKey of 1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is DJWYXUDPKJNOAP-NSHDSACASA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-23(15(26)20-7-12-5-6-21-24(12)2)8-11-3-4-14-22-13(16(17,18)19)10-25(14)9-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,20,26)/t11-/m0/s1.
What are the key properties of 1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 370.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129329128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).