5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C30H28ClN7O — CID 11249663

IUPAC5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2c(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c3c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C30H28ClN7O/c1-37(2)23-9-6-19(7-10-23)26-25(20-4-3-5-22(31)16-20)27-29(32)34-18-35-30(27)36-28(26)21-8-11-24(33-17-21)38-12-14-39-15-13-38/h3-11,16-18H,12-15H2,1-2H3,(H2,32,34,35,36)
InChIKeyFSUIELSZKJWCIR-UHFFFAOYSA-N
MW538.06 g/mol
LogP5.56
Rot. Bonds5

About 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11249663) has the molecular formula C30H28ClN7O and a molecular weight of 538.06 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11249663
Molecular FormulaC30H28ClN7O
Molecular Weight538.06 g/mol
Exact Mass537.20
IUPAC Name5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2c(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c3c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C30H28ClN7O/c1-37(2)23-9-6-19(7-10-23)26-25(20-4-3-5-22(31)16-20)27-29(32)34-18-35-30(27)36-28(26)21-8-11-24(33-17-21)38-12-14-39-15-13-38/h3-11,16-18H,12-15H2,1-2H3,(H2,32,34,35,36)
InChIKeyFSUIELSZKJWCIR-UHFFFAOYSA-N
XLogP5.56
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.06
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

Abt-702
CID 1973
4-(4-(1-Amino-1-Methylethyl)Phenyl)-5-Chloro-N-(4-(2-Morpholin-4-Ylethyl)Phenyl)Pyrimidin-2-Amine
CID 447622
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
3-Tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(morpholin-4-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
CID 5328145
5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10005239
5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10435708
(e)-4-(6-Chloro-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)vinyl)quinazolin-4-yl)morpholine
CID 72706537
4-(6-Chloro-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)ethyl)quinazolin-4-yl)morpholine
CID 72706603
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381850
5-(4-Chlorophenyl)-6-{6-[(2-methoxyethyl)methylamino]pyridin-3-ylethynyl}pyrimidin-4-ylamine
CID 44423525
4-Morpholin-4-yl-2-pyridin-4-yl-quinazoline
CID 710951
N*1*-[7-(4-Morpholin-4-yl-phenyl)-[1,6]naphthyridin-5-yl]-propane-1,3-diamine
CID 9820420

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 11249663) is 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2c(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c3c2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is FSUIELSZKJWCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN7O/c1-37(2)23-9-6-19(7-10-23)26-25(20-4-3-5-22(31)16-20)27-29(32)34-18-35-30(27)36-28(26)21-8-11-24(33-17-21)38-12-14-39-15-13-38/h3-11,16-18H,12-15H2,1-2H3,(H2,32,34,35,36).
What are the key properties of 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 538.06 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-[4-(dimethylamino)phenyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11249663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).