6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C34H28Cl2FN5O4 — CID 54761455

IUPAC6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC1(C)Oc2ccccc2C(=O)C1n1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc21
InChIInChI=1S/C34H28Cl2FN5O4/c1-34(2)30(29(43)23-5-3-4-6-27(23)46-34)42-31-18(13-24(32(42)44)21-9-7-19(35)14-25(21)36)16-39-33(41-31)40-20-8-10-22(26(37)15-20)28-17-38-11-12-45-28/h3-10,13-16,28,30,38H,11-12,17H2,1-2H3,(H,39,40,41)
InChIKeyDFYMMHFTFCMPHB-UHFFFAOYSA-N
MW660.53 g/mol
LogP6.90
Rot. Bonds5

About 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 54761455) has the molecular formula C34H28Cl2FN5O4 and a molecular weight of 660.53 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID54761455
Molecular FormulaC34H28Cl2FN5O4
Molecular Weight660.53 g/mol
Exact Mass659.15
IUPAC Name6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC1(C)Oc2ccccc2C(=O)C1n1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc21
InChIInChI=1S/C34H28Cl2FN5O4/c1-34(2)30(29(43)23-5-3-4-6-27(23)46-34)42-31-18(13-24(32(42)44)21-9-7-19(35)14-25(21)36)16-39-33(41-31)40-20-8-10-22(26(37)15-20)28-17-38-11-12-45-28/h3-10,13-16,28,30,38H,11-12,17H2,1-2H3,(H,39,40,41)
InChIKeyDFYMMHFTFCMPHB-UHFFFAOYSA-N
XLogP6.90
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.53
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 67
CID 5327913
6-(2,6-dichlorophenyl)-2-({4-[2-(ethylamino)ethoxy]phenyl}amino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327905
6-(2,4-Dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 135382275
8-Benzyl-6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 135382621
2-[4-[[6-(2,6-Dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl-diethylazanium
CID 36687800
N-[5-(2,4-dichloro-6-ethoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-fluoro-2-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide
CID 54754565
N-[5-(2,4-dichloro-6-ethoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-fluoro-2-(2-pyrimidin-2-ylpropan-2-yloxy)pyridine-3-carboxamide
CID 54755644
N-[5-(2,4-dichloro-6-ethoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-fluoro-2-(pyrimidin-4-ylmethoxy)pyridine-3-carboxamide
CID 54755645
N-[5-(2,4-dichloro-6-ethoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-[(4,6-dimethylpyrimidin-2-yl)methoxy]-5-fluoropyridine-3-carboxamide
CID 54755647
N-[(3S)-5-(2,4-dichloro-6-ethoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-fluoro-2-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide
CID 54755650
N-[(3R)-5-(2,4-dichloro-6-ethoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-fluoro-2-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide
CID 54755651
N-[5-(2,4-dichloro-6-ethoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-fluoro-2-(1-pyrimidin-2-ylethoxy)pyridine-3-carboxamide
CID 54755762

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 54761455) is 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CC1(C)Oc2ccccc2C(=O)C1n1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc21.
What is the InChIKey of 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DFYMMHFTFCMPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28Cl2FN5O4/c1-34(2)30(29(43)23-5-3-4-6-27(23)46-34)42-31-18(13-24(32(42)44)21-9-7-19(35)14-25(21)36)16-39-33(41-31)40-20-8-10-22(26(37)15-20)28-17-38-11-12-45-28/h3-10,13-16,28,30,38H,11-12,17H2,1-2H3,(H,39,40,41).
What are the key properties of 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 660.53 g/mol, XLogP of 6.90, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54761455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).