8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

C21H18F3N5O2 — CID 142402558

IUPAC8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccc(C(F)(F)F)cc23)c(=O)n2c1C(=O)NC21CCCC1
InChIInChI=1S/C21H18F3N5O2/c1-11-8-15(19(31)29-16(11)18(30)28-20(29)6-2-3-7-20)27-17-13-9-12(21(22,23)24)4-5-14(13)25-10-26-17/h4-5,8-10H,2-3,6-7H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyZWDQJNFJOOPAPY-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.83
Rot. Bonds2

About 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (PubChem CID 142402558) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.

Molecular Properties

Compound Name8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
PubChem CID142402558
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccc(C(F)(F)F)cc23)c(=O)n2c1C(=O)NC21CCCC1
InChIInChI=1S/C21H18F3N5O2/c1-11-8-15(19(31)29-16(11)18(30)28-20(29)6-2-3-7-20)27-17-13-9-12(21(22,23)24)4-5-14(13)25-10-26-17/h4-5,8-10H,2-3,6-7H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyZWDQJNFJOOPAPY-UHFFFAOYSA-N
XLogP3.83
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione with MolForge

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Related Compounds

8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610
6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 135259180
4-[[1'-hydroxy-8-methyl-1,5-dioxo-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-6-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 135258998
2-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyridine-3-carboxylic acid
CID 175918653
(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 122634969
6-[(4-aminopyrimidin-2-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162654959
1-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile
CID 146257754
1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione
CID 146651036
6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-(isocyanomethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 123287055
6-[(6-chloroquinazolin-4-yl)amino]-3-ethyl-8-methyl-3-(2-methylsulfanylethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 142402606
CID 166460731
CID 166460731
6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 139479919

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The IUPAC name of 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (CID 142402558) is 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.
What is the SMILES notation for 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The canonical SMILES for 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is Cc1cc(Nc2ncnc3ccc(C(F)(F)F)cc23)c(=O)n2c1C(=O)NC21CCCC1.
What is the InChIKey of 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The InChIKey is ZWDQJNFJOOPAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c1-11-8-15(19(31)29-16(11)18(30)28-20(29)6-2-3-7-20)27-17-13-9-12(21(22,23)24)4-5-14(13)25-10-26-17/h4-5,8-10H,2-3,6-7H2,1H3,(H,28,30)(H,25,26,27).
What are the key properties of 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione has a molecular weight of 429.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is sourced from PubChem (CID 142402558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).