2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one

C26H23F3N4O2 — CID 24910435

IUPAC2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
SMILESCc1cc2oc(N)c(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)c(=O)c2cc1C
InChIInChI=1S/C26H23F3N4O2/c1-14-9-19-22(10-15(14)2)35-24(30)20(23(19)34)13-33-8-7-21-17(12-33)11-31-25(32-21)16-3-5-18(6-4-16)26(27,28)29/h3-6,9-11H,7-8,12-13,30H2,1-2H3
InChIKeyMGDPTZYJYYEBPK-UHFFFAOYSA-N
MW480.49 g/mol
LogP5.03
Rot. Bonds3

About 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one

2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one (PubChem CID 24910435) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
PubChem CID24910435
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
SMILESCc1cc2oc(N)c(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)c(=O)c2cc1C
InChIInChI=1S/C26H23F3N4O2/c1-14-9-19-22(10-15(14)2)35-24(30)20(23(19)34)13-33-8-7-21-17(12-33)11-31-25(32-21)16-3-5-18(6-4-16)26(27,28)29/h3-6,9-11H,7-8,12-13,30H2,1-2H3
InChIKeyMGDPTZYJYYEBPK-UHFFFAOYSA-N
XLogP5.03
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6,7-dimethyl-3-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910426
2-amino-6,7-dimethyl-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910432
6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909700
4-chloro-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-2-one
CID 24910372
2-amino-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910411
6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928330
2-amino-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910417
2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24909976
7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930273
2-amino-3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
CID 24910410
6-[(2,3-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928309
6-methyl-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909217

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one?
The IUPAC name of 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one (CID 24910435) is 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one.
What is the SMILES notation for 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one?
The canonical SMILES for 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one is Cc1cc2oc(N)c(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)c(=O)c2cc1C.
What is the InChIKey of 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one?
The InChIKey is MGDPTZYJYYEBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-14-9-19-22(10-15(14)2)35-24(30)20(23(19)34)13-33-8-7-21-17(12-33)11-31-25(32-21)16-3-5-18(6-4-16)26(27,28)29/h3-6,9-11H,7-8,12-13,30H2,1-2H3.
What are the key properties of 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one?
2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one has a molecular weight of 480.49 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one is sourced from PubChem (CID 24910435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).