8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one

C23H21Cl2N5O3 — CID 24937334

IUPAC8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(OCCCN)c3n2)c1
InChIInChI=1S/C23H21Cl2N5O3/c1-32-16-6-2-5-15(12-16)28-23-27-13-14-11-17(20-18(24)7-3-8-19(20)25)22(31)30(21(14)29-23)33-10-4-9-26/h2-3,5-8,11-13H,4,9-10,26H2,1H3,(H,27,28,29)
InChIKeyVCDJOABGCOPPHU-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.29
Rot. Bonds8

About 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one

8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 24937334) has the molecular formula C23H21Cl2N5O3 and a molecular weight of 486.36 g/mol. Its IUPAC name is 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID24937334
Molecular FormulaC23H21Cl2N5O3
Molecular Weight486.36 g/mol
Exact Mass485.10
IUPAC Name8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(OCCCN)c3n2)c1
InChIInChI=1S/C23H21Cl2N5O3/c1-32-16-6-2-5-15(12-16)28-23-27-13-14-11-17(20-18(24)7-3-8-19(20)25)22(31)30(21(14)29-23)33-10-4-9-26/h2-3,5-8,11-13H,4,9-10,26H2,1H3,(H,27,28,29)
InChIKeyVCDJOABGCOPPHU-UHFFFAOYSA-N
XLogP4.29
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 24938205
2-[3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 58478361
6-(2,6-dichlorophenyl)-8-(2-methoxyethoxy)-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 58395665
4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 58395637
6-(2,6-dichlorophenyl)-2-(4-methanimidoylanilino)-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 90201090
6-(2,6-dichlorophenyl)-2-[3-(ethoxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 142857829
6-(2,6-dichlorophenyl)-2-[4-(hydroxyiminomethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 76775743
6-(2,6-dichlorophenyl)-2-[3-[[[(3S)-3-hydroxybutyl]-methylamino]methyl]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 71103525
6-(2,6-dichlorophenyl)-2-[4-[(3-hydroxyazetidin-1-yl)methyl]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 58395672
6-(2,6-dichlorophenyl)-2-[3-(1-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53348083
2-[4-[(E)-2-aminoethenoxy]anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 90369679
6-(2,6-dichlorophenyl)-2-[4-[2-[ethyl(methyl)amino]ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 167312582

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 24937334) is 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one is COc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(OCCCN)c3n2)c1.
What is the InChIKey of 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VCDJOABGCOPPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O3/c1-32-16-6-2-5-15(12-16)28-23-27-13-14-11-17(20-18(24)7-3-8-19(20)25)22(31)30(21(14)29-23)33-10-4-9-26/h2-3,5-8,11-13H,4,9-10,26H2,1H3,(H,27,28,29).
What are the key properties of 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 486.36 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 24937334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).