2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium

C43H45F6N10O2Pd- — CID 161100876

IUPAC2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium
SMILESC.CC1CN(Cc2ccccc2)CC1c1nn2c(-c3ccccc3C(F)(F)F)ncc2c(=O)[nH]1.CC1CNCC1c1nn2c(-c3ccccc3C(F)(F)F)ncc2c(=O)[nH]1.[CH3-].[Pd]
InChIInChI=1S/C24H22F3N5O.C17H16F3N5O.CH4.CH3.Pd/c1-15-12-31(13-16-7-3-2-4-8-16)14-18(15)21-29-23(33)20-11-28-22(32(20)30-21)17-9-5-6-10-19(17)24(25,26)27;1-9-6-21-7-11(9)14-23-16(26)13-8-22-15(25(13)24-14)10-4-2-3-5-12(10)17(18,19)20;;;/h2-11,15,18H,12-14H2,1H3,(H,29,30,33);2-5,8-9,11,21H,6-7H2,1H3,(H,23,24,26);1H4;1H3;/q;;;-1;
InChIKeyNQWABXIXEGXCDY-UHFFFAOYSA-N
MW954.31 g/mol
LogP7.85
Rot. Bonds6

About 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium

2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium (PubChem CID 161100876) has the molecular formula C43H45F6N10O2Pd- and a molecular weight of 954.31 g/mol. Its IUPAC name is 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium.

Molecular Properties

Compound Name2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium
PubChem CID161100876
Molecular FormulaC43H45F6N10O2Pd-
Molecular Weight954.31 g/mol
Exact Mass953.27
IUPAC Name2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium
SMILESC.CC1CN(Cc2ccccc2)CC1c1nn2c(-c3ccccc3C(F)(F)F)ncc2c(=O)[nH]1.CC1CNCC1c1nn2c(-c3ccccc3C(F)(F)F)ncc2c(=O)[nH]1.[CH3-].[Pd]
InChIInChI=1S/C24H22F3N5O.C17H16F3N5O.CH4.CH3.Pd/c1-15-12-31(13-16-7-3-2-4-8-16)14-18(15)21-29-23(33)20-11-28-22(32(20)30-21)17-9-5-6-10-19(17)24(25,26)27;1-9-6-21-7-11(9)14-23-16(26)13-8-22-15(25(13)24-14)10-4-2-3-5-12(10)17(18,19)20;;;/h2-11,15,18H,12-14H2,1H3,(H,29,30,33);2-5,8-9,11,21H,6-7H2,1H3,(H,23,24,26);1H4;1H3;/q;;;-1;
InChIKeyNQWABXIXEGXCDY-UHFFFAOYSA-N
XLogP7.85
TPSA141.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.31
LogP ≤ 57.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 71550426
1-[6-methyl-2-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-4-yl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123415167
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]-8-[3-fluoro-1-[[6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]pyrrolidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123737199
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-2-yl]-8-[(3R)-3-fluoro-1-[[6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyridin-2-yl]methyl]pyrrolidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708734
N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 126709049
N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 126709119
N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 126709246
N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 126709248
8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 126709271
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-fluoro-2-methylphenyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136078791
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4,4-difluorocyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136078792
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(5-fluoro-2-methylphenyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136240761

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium?
The IUPAC name of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium (CID 161100876) is 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium.
What is the SMILES notation for 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium?
The canonical SMILES for 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium is C.CC1CN(Cc2ccccc2)CC1c1nn2c(-c3ccccc3C(F)(F)F)ncc2c(=O)[nH]1.CC1CNCC1c1nn2c(-c3ccccc3C(F)(F)F)ncc2c(=O)[nH]1.[CH3-].[Pd].
What is the InChIKey of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium?
The InChIKey is NQWABXIXEGXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O.C17H16F3N5O.CH4.CH3.Pd/c1-15-12-31(13-16-7-3-2-4-8-16)14-18(15)21-29-23(33)20-11-28-22(32(20)30-21)17-9-5-6-10-19(17)24(25,26)27;1-9-6-21-7-11(9)14-23-16(26)13-8-22-15(25(13)24-14)10-4-2-3-5-12(10)17(18,19)20;;;/h2-11,15,18H,12-14H2,1H3,(H,29,30,33);2-5,8-9,11,21H,6-7H2,1H3,(H,23,24,26);1H4;1H3;/q;;;-1;.
What are the key properties of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium?
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium has a molecular weight of 954.31 g/mol, XLogP of 7.85, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;carbanide;methane;2-(4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;palladium is sourced from PubChem (CID 161100876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).