(2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one

C25H22F3N5O2 — CID 155347866

IUPAC(2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(n(-c4ccc5[nH]ccc5c4)c2=O)N[C@@](C)(NCC(F)(F)F)N=C3)cc1
InChIInChI=1S/C25H22F3N5O2/c1-24(31-14-25(26,27)28)30-13-17-12-20(15-3-6-19(35-2)7-4-15)23(34)33(22(17)32-24)18-5-8-21-16(11-18)9-10-29-21/h3-13,29,31-32H,14H2,1-2H3/t24-/m1/s1
InChIKeyCYBWPKWWTFPGJL-XMMPIXPASA-N
MW481.48 g/mol
LogP4.66
Rot. Bonds5

About (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one

(2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 155347866) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID155347866
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name(2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(n(-c4ccc5[nH]ccc5c4)c2=O)N[C@@](C)(NCC(F)(F)F)N=C3)cc1
InChIInChI=1S/C25H22F3N5O2/c1-24(31-14-25(26,27)28)30-13-17-12-20(15-3-6-19(35-2)7-4-15)23(34)33(22(17)32-24)18-5-8-21-16(11-18)9-10-29-21/h3-13,29,31-32H,14H2,1-2H3/t24-/m1/s1
InChIKeyCYBWPKWWTFPGJL-XMMPIXPASA-N
XLogP4.66
TPSA83.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(2,2-dimethyl-1,3-benzodioxol-5-yl)-8-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-1,2-dihydropyrido[2,3-d]pyrimidin-7-one;ethane
CID 155732492
8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 155347843
ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one
CID 155732416
8-(4-ethynylphenyl)-6-(4-methoxyphenyl)-3-methyl-2-(2,2,2-trifluoroethylamino)-2H-pyrido[2,3-d]pyrimidin-7-one
CID 155732421
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
CID 126475199
6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 155732367
5-(4-methoxyphenoxy)-1H-indole
CID 19042832
6-(1,3-benzodioxol-5-yl)-8-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 155347664
5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 71460051
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-8-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-1,2-dihydropyrido[2,3-d]pyrimidin-7-one;ethane;molecular hydrogen
CID 155732322
5-methoxyindol-1-amine;5-methoxy-1H-indole
CID 160670246

Frequently Asked Questions

What is the IUPAC name of (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one (CID 155347866) is (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(n(-c4ccc5[nH]ccc5c4)c2=O)N[C@@](C)(NCC(F)(F)F)N=C3)cc1.
What is the InChIKey of (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CYBWPKWWTFPGJL-XMMPIXPASA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-24(31-14-25(26,27)28)30-13-17-12-20(15-3-6-19(35-2)7-4-15)23(34)33(22(17)32-24)18-5-8-21-16(11-18)9-10-29-21/h3-13,29,31-32H,14H2,1-2H3/t24-/m1/s1.
What are the key properties of (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one?
(2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 481.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155347866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).