6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one — IUPAC name, SMILES, InChIKey & properties

Name: 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158153469) has the molecular formula C94H94F3N23O4S2 and a molecular weight of 1731.07 g/mol. Its IUPAC name is 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name	6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID	158153469
Molecular Formula	C94H94F3N23O4S2
Molecular Weight	1731.07 g/mol
Exact Mass	1729.73
IUPAC Name	6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILES	Cc1cc(-c2nncs2)cnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(C2CCNCC2)ccc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(-c2ccccc2)c1=O.Cc1cc(C2CCOCC2)ncc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(-c2nccs2)c1=O
InChI	InChI=1S/C36H38N6O.C31H32N8O2S.C27H24F3N9OS/c1-24-21-28(27-15-19-38-20-16-27)9-12-32(24)33-22-29-23-39-36(41-34(29)42(35(33)43)31-5-3-2-4-6-31)40-30-10-7-25(8-11-30)26-13-17-37-18-14-26;1-19-14-27(20-7-11-41-12-8-20)34-18-26(19)25-15-21-16-35-30(38-28(21)39(29(25)40)31-33-10-13-42-31)37-23-4-2-22(3-5-23)36-24-6-9-32-17-24;1-16-10-18(24-37-34-15-41-24)13-32-22(16)21-11-17-12-33-26(36-23(17)39(25(21)40)14-27(28,29)30)35-19-2-4-20(5-3-19)38-8-6-31-7-9-38/h2-12,21-23,26-27,37-38H,13-20H2,1H3,(H,39,40,41);2-5,10,13-16,18,20,24,32,36H,6-9,11-12,17H2,1H3,(H,35,37,38);2-5,10-13,15,31H,6-9,14H2,1H3,(H,33,35,36)
InChIKey	FVKBFLDUPLBEGK-UHFFFAOYSA-N
XLogP	15.85
TPSA	316.50 Å²
H-Bond Donors	8
H-Bond Acceptors	29
Rotatable Bonds	19
Heavy Atoms	126
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1731.07
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 158153469) is 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2nncs2)cnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(C2CCNCC2)ccc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(-c2ccccc2)c1=O.Cc1cc(C2CCOCC2)ncc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(-c2nccs2)c1=O.

What is the InChIKey of 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is FVKBFLDUPLBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N6O.C31H32N8O2S.C27H24F3N9OS/c1-24-21-28(27-15-19-38-20-16-27)9-12-32(24)33-22-29-23-39-36(41-34(29)42(35(33)43)31-5-3-2-4-6-31)40-30-10-7-25(8-11-30)26-13-17-37-18-14-26;1-19-14-27(20-7-11-41-12-8-20)34-18-26(19)25-15-21-16-35-30(38-28(21)39(29(25)40)31-33-10-13-42-31)37-23-4-2-22(3-5-23)36-24-6-9-32-17-24;1-16-10-18(24-37-34-15-41-24)13-32-22(16)21-11-17-12-33-26(36-23(17)39(25(21)40)14-27(28,29)30)35-19-2-4-20(5-3-19)38-8-6-31-7-9-38/h2-12,21-23,26-27,37-38H,13-20H2,1H3,(H,39,40,41);2-5,10,13-16,18,20,24,32,36H,6-9,11-12,17H2,1H3,(H,35,37,38);2-5,10-13,15,31H,6-9,14H2,1H3,(H,33,35,36).

What are the key properties of 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

Where does this data come from?

All data for 6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158153469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).