1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one

C25H32F3N5O2 — CID 69423165

IUPAC1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
SMILESCOCC1C2CN(C(C)C)CC2CC1N1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O
InChIInChI=1S/C25H32F3N5O2/c1-14(2)32-10-15-8-22(19(12-35-3)18(15)11-32)33-7-6-21(24(33)34)31-23-17-9-16(25(26,27)28)4-5-20(17)29-13-30-23/h4-5,9,13-15,18-19,21-22H,6-8,10-12H2,1-3H3,(H,29,30,31)
InChIKeyWBTNWNIUVFHODT-UHFFFAOYSA-N
MW491.56 g/mol
LogP3.65
Rot. Bonds6

About 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one

1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one (PubChem CID 69423165) has the molecular formula C25H32F3N5O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
PubChem CID69423165
Molecular FormulaC25H32F3N5O2
Molecular Weight491.56 g/mol
Exact Mass491.25
IUPAC Name1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
SMILESCOCC1C2CN(C(C)C)CC2CC1N1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O
InChIInChI=1S/C25H32F3N5O2/c1-14(2)32-10-15-8-22(19(12-35-3)18(15)11-32)33-7-6-21(24(33)34)31-23-17-9-16(25(26,27)28)4-5-20(17)29-13-30-23/h4-5,9,13-15,18-19,21-22H,6-8,10-12H2,1-3H3,(H,29,30,31)
InChIKeyWBTNWNIUVFHODT-UHFFFAOYSA-N
XLogP3.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

(3S)-1-[(1S,2S,4R)-4-(tert-butylamino)-2-propan-2-ylcyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 177125054
2-[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide
CID 90981307
(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-(propan-2-ylsulfonylmethyl)cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 42606912
(3S)-1-[(1S,2R)-4-(dimethylamino)-2-propylcyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 42606673
(3S)-1-[(1S,2R,4R)-4-(dimethylamino)-2-propylcyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 68764890
1-[(1S,2R,4R)-4-(tert-butylamino)-2-propylcyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 68766261
N-[(1R,2S)-5-(tert-butylamino)-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide
CID 67181859
acetamide;(3S)-1-(4-aminocyclohexyl)-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 143618952
4-[4-[[(1R,2S,5R)-5-(2-methylpropylamino)-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]carbamoyl]phenyl]cyclohexane-1-carboxylic acid
CID 167464625
ethyl 4-[4-[[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]carbamoyl]phenyl]cyclohexane-1-carboxylate;formic acid
CID 175854055
methyl (1R,2S,5R)-5-(tert-butylamino)-2-[3-[(6-chloroquinazolin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 68769009
(3S)-3-[(6-chloroquinazolin-4-yl)amino]-1-[(1S,2S,4R)-4-[methyl(propan-2-yl)amino]-2-(methylsulfonylmethyl)cyclohexyl]pyrrolidin-2-one
CID 68767235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one (CID 69423165) is 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one is COCC1C2CN(C(C)C)CC2CC1N1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O.
What is the InChIKey of 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is WBTNWNIUVFHODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O2/c1-14(2)32-10-15-8-22(19(12-35-3)18(15)11-32)33-7-6-21(24(33)34)31-23-17-9-16(25(26,27)28)4-5-20(17)29-13-30-23/h4-5,9,13-15,18-19,21-22H,6-8,10-12H2,1-3H3,(H,29,30,31).
What are the key properties of 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one?
1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 491.56 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 69423165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).