6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C30H25F3N6OS — CID 90210781

IUPAC6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O
InChIInChI=1S/C30H25F3N6OS/c1-18-12-22(21-8-11-41-16-21)14-35-26(18)25-13-23-15-36-29(38-27(23)39(28(25)40)17-30(31,32)33)37-24-4-2-19(3-5-24)20-6-9-34-10-7-20/h2-6,8,11-16,34H,7,9-10,17H2,1H3,(H,36,37,38)
InChIKeyVFHZUWGVSSLZBH-UHFFFAOYSA-N
MW574.63 g/mol
LogP6.57
Rot. Bonds6

About 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90210781) has the molecular formula C30H25F3N6OS and a molecular weight of 574.63 g/mol. Its IUPAC name is 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID90210781
Molecular FormulaC30H25F3N6OS
Molecular Weight574.63 g/mol
Exact Mass574.18
IUPAC Name6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O
InChIInChI=1S/C30H25F3N6OS/c1-18-12-22(21-8-11-41-16-21)14-35-26(18)25-13-23-15-36-29(38-27(23)39(28(25)40)17-30(31,32)33)37-24-4-2-19(3-5-24)20-6-9-34-10-7-20/h2-6,8,11-16,34H,7,9-10,17H2,1H3,(H,36,37,38)
InChIKeyVFHZUWGVSSLZBH-UHFFFAOYSA-N
XLogP6.57
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.63
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 90210781) is 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.
What is the InChIKey of 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VFHZUWGVSSLZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6OS/c1-18-12-22(21-8-11-41-16-21)14-35-26(18)25-13-23-15-36-29(38-27(23)39(28(25)40)17-30(31,32)33)37-24-4-2-19(3-5-24)20-6-9-34-10-7-20/h2-6,8,11-16,34H,7,9-10,17H2,1H3,(H,36,37,38).
What are the key properties of 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 574.63 g/mol, XLogP of 6.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90210781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).