N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide

C16H18F3N5O2 — CID 128971949

IUPACN,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCc3nc(C(F)(F)F)cn3C2)nc(=O)[nH]1
InChIInChI=1S/C16H18F3N5O2/c1-9-5-11(21-15(26)20-9)14(25)23(2)6-10-3-4-13-22-12(16(17,18)19)8-24(13)7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,20,21,26)
InChIKeyPQFKGJGFCZVHLB-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.63
Rot. Bonds3

About N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide

N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide (PubChem CID 128971949) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide
PubChem CID128971949
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC NameN,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCc3nc(C(F)(F)F)cn3C2)nc(=O)[nH]1
InChIInChI=1S/C16H18F3N5O2/c1-9-5-11(21-15(26)20-9)14(25)23(2)6-10-3-4-13-22-12(16(17,18)19)8-24(13)7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,20,21,26)
InChIKeyPQFKGJGFCZVHLB-UHFFFAOYSA-N
XLogP1.63
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide (CID 128971949) is N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)CC2CCc3nc(C(F)(F)F)cn3C2)nc(=O)[nH]1.
What is the InChIKey of N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is PQFKGJGFCZVHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-9-5-11(21-15(26)20-9)14(25)23(2)6-10-3-4-13-22-12(16(17,18)19)8-24(13)7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,20,21,26).
What are the key properties of N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide?
N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 128971949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).