6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

C18H16F3N5O2 — CID 118598607

IUPAC6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2ccc(Nc3cc(/C=C/C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C18H16F3N5O2/c1-17(18(19,20)21)25-15(27)13-7-6-12(16(28)26(13)17)24-14-8-11(22-9-23-14)5-4-10-2-3-10/h4-10H,2-3H2,1H3,(H,25,27)(H,22,23,24)/b5-4+
InChIKeyFGFUUBCEERIDBQ-SNAWJCMRSA-N
MW391.35 g/mol
LogP2.78
Rot. Bonds4

About 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598607) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598607
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2ccc(Nc3cc(/C=C/C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C18H16F3N5O2/c1-17(18(19,20)21)25-15(27)13-7-6-12(16(28)26(13)17)24-14-8-11(22-9-23-14)5-4-10-2-3-10/h4-10H,2-3H2,1H3,(H,25,27)(H,22,23,24)/b5-4+
InChIKeyFGFUUBCEERIDBQ-SNAWJCMRSA-N
XLogP2.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione with MolForge

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Related Compounds

N-[6-[(3-methyl-1,5-dioxo-3-propan-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598957
3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 147577728
N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 142483378
3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598882
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 163476481
tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate
CID 118598793
6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione
CID 118598605
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)
CID 159075740
8-fluoro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118599128
N-[6-[(8-chloro-3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118599096
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 172572669
N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide
CID 139387357

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598607) is 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C(F)(F)F)NC(=O)c2ccc(Nc3cc(/C=C/C4CC4)ncn3)c(=O)n21.
What is the InChIKey of 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is FGFUUBCEERIDBQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-17(18(19,20)21)25-15(27)13-7-6-12(16(28)26(13)17)24-14-8-11(22-9-23-14)5-4-10-2-3-10/h4-10H,2-3H2,1H3,(H,25,27)(H,22,23,24)/b5-4+.
What are the key properties of 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 391.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).