6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one — IUPAC name, SMILES, InChIKey & properties

Name: 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161201015) has the molecular formula C94H78Cl2F6N18O8S and a molecular weight of 1804.74 g/mol. Its IUPAC name is 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name	6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID	161201015
Molecular Formula	C94H78Cl2F6N18O8S
Molecular Weight	1804.74 g/mol
Exact Mass	1802.53
IUPAC Name	6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILES	C.CN1CCCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cnco6)cc5C(F)(F)F)c(=O)n(-c5nccs5)c4n3)cc2)C1.O=c1c(-c2ccc(-c3ccoc3)cc2Cl)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n1-c1ccccc1.O=c1c(-c2ncc(-c3ccoc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1CC(F)(F)F
InChI	InChI=1S/C33H26ClN5O3.C32H26F3N7O2S.C28H22ClF3N6O3.CH4/c34-30-17-21(22-13-15-41-20-22)6-11-28(30)29-16-23-18-36-33(38-31(23)39(32(29)40)25-4-2-1-3-5-25)37-24-7-9-26(10-8-24)42-27-12-14-35-19-27;1-41-11-2-3-21(17-41)19-4-7-23(8-5-19)39-30-38-15-22-13-25(29(43)42(28(22)40-30)31-37-10-12-45-31)24-9-6-20(27-16-36-18-44-27)14-26(24)32(33,34)35;29-22-10-18(17-5-7-40-14-17)11-34-24(22)21-9-19-12-35-27(37-25(19)38(26(21)39)15-28(30,31)32)36-20-3-1-16(2-4-20)23-13-33-6-8-41-23;/h1-11,13,15-18,20,27,35H,12,14,19H2,(H,36,37,38);4-10,12-16,18,21H,2-3,11,17H2,1H3,(H,38,39,40);1-5,7,9-12,14,23,33H,6,8,13,15H2,(H,35,36,37);1H4
InChIKey	UUZAARKJOKEZHD-UHFFFAOYSA-N
XLogP	20.35
TPSA	303.28 Å²
H-Bond Donors	5
H-Bond Acceptors	27
Rotatable Bonds	19
Heavy Atoms	129
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1804.74
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Analyze 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)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-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 161201015) is 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is C.CN1CCCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cnco6)cc5C(F)(F)F)c(=O)n(-c5nccs5)c4n3)cc2)C1.O=c1c(-c2ccc(-c3ccoc3)cc2Cl)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n1-c1ccccc1.O=c1c(-c2ncc(-c3ccoc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1CC(F)(F)F.

What is the InChIKey of 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UUZAARKJOKEZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26ClN5O3.C32H26F3N7O2S.C28H22ClF3N6O3.CH4/c34-30-17-21(22-13-15-41-20-22)6-11-28(30)29-16-23-18-36-33(38-31(23)39(32(29)40)25-4-2-1-3-5-25)37-24-7-9-26(10-8-24)42-27-12-14-35-19-27;1-41-11-2-3-21(17-41)19-4-7-23(8-5-19)39-30-38-15-22-13-25(29(43)42(28(22)40-30)31-37-10-12-45-31)24-9-6-20(27-16-36-18-44-27)14-26(24)32(33,34)35;29-22-10-18(17-5-7-40-14-17)11-34-24(22)21-9-19-12-35-27(37-25(19)38(26(21)39)15-28(30,31)32)36-20-3-1-16(2-4-20)23-13-33-6-8-41-23;/h1-11,13,15-18,20,27,35H,12,14,19H2,(H,36,37,38);4-10,12-16,18,21H,2-3,11,17H2,1H3,(H,38,39,40);1-5,7,9-12,14,23,33H,6,8,13,15H2,(H,35,36,37);1H4.

What are the key properties of 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

Where does this data come from?

All data for 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161201015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).