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

C32H26Cl2FN5O3 — CID 54761289

IUPAC6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc2n1C1COc2ccccc2C1
InChIInChI=1S/C32H26Cl2FN5O3/c33-20-5-7-23(26(34)13-20)25-12-19-15-37-32(38-21-6-8-24(27(35)14-21)29-16-36-9-10-42-29)39-30(19)40(31(25)41)22-11-18-3-1-2-4-28(18)43-17-22/h1-8,12-15,22,29,36H,9-11,16-17H2,(H,37,38,39)
InChIKeyJFANJQDPWBYTFP-UHFFFAOYSA-N
MW618.50 g/mol
LogP6.49
Rot. Bonds5

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

6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 54761289) has the molecular formula C32H26Cl2FN5O3 and a molecular weight of 618.50 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-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-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID54761289
Molecular FormulaC32H26Cl2FN5O3
Molecular Weight618.50 g/mol
Exact Mass617.14
IUPAC Name6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc2n1C1COc2ccccc2C1
InChIInChI=1S/C32H26Cl2FN5O3/c33-20-5-7-23(26(34)13-20)25-12-19-15-37-32(38-21-6-8-24(27(35)14-21)29-16-36-9-10-42-29)39-30(19)40(31(25)41)22-11-18-3-1-2-4-28(18)43-17-22/h1-8,12-15,22,29,36H,9-11,16-17H2,(H,37,38,39)
InChIKeyJFANJQDPWBYTFP-UHFFFAOYSA-N
XLogP6.49
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.50
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2,6-Dichlorophenyl)-2-((4-(2-(diethylamino)ethoxy)phenyl)amino)-8-methylpyrido(2,3-d)pyrimidin-7(8H)-one
CID 5311382
6-(2,6-dichlorophenyl)-2-({3-[2-(diethylamino)ethoxy]phenyl}amino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327908
6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-ethyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327909
6-(2,6-dichlorophenyl)-2-[(2-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327894
6-(2,6-dichlorophenyl)-2-[(3-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327895
6-(2,6-Dichlorophenyl)-2-(4-methoxyphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327896
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 53
CID 5327899
2-[4-(2-Aminoethoxy)anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 5327904
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 67
CID 5327913
3-(2,6-Dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328716
3-(2,6-Dichlorophenyl)-1-methyl-7-({4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}amino)-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328718
6-(2,6-dichlorophenyl)-2-[(4-ethoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330525

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-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-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 54761289) is 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-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-(3,4-dihydro-2H-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-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc2n1C1COc2ccccc2C1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JFANJQDPWBYTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2FN5O3/c33-20-5-7-23(26(34)13-20)25-12-19-15-37-32(38-21-6-8-24(27(35)14-21)29-16-36-9-10-42-29)39-30(19)40(31(25)41)22-11-18-3-1-2-4-28(18)43-17-22/h1-8,12-15,22,29,36H,9-11,16-17H2,(H,37,38,39).
What are the key properties of 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 618.50 g/mol, XLogP of 6.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54761289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).