6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C35H30ClN5O3 — CID 54760931

IUPAC6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC1(C)Oc2ccccc2C(=O)C1n1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21
InChIInChI=1S/C35H30ClN5O3/c1-35(2)31(30(42)26-8-4-6-10-29(26)44-35)41-32-23(19-27(33(41)43)25-7-3-5-9-28(25)36)20-38-34(40-32)39-24-13-11-21(12-14-24)22-15-17-37-18-16-22/h3-15,19-20,31,37H,16-18H2,1-2H3,(H,38,39,40)
InChIKeyFMVMWHXHTPDOLR-UHFFFAOYSA-N
MW604.11 g/mol
LogP6.83
Rot. Bonds5

About 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 54760931) has the molecular formula C35H30ClN5O3 and a molecular weight of 604.11 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID54760931
Molecular FormulaC35H30ClN5O3
Molecular Weight604.11 g/mol
Exact Mass603.20
IUPAC Name6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC1(C)Oc2ccccc2C(=O)C1n1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21
InChIInChI=1S/C35H30ClN5O3/c1-35(2)31(30(42)26-8-4-6-10-29(26)44-35)41-32-23(19-27(33(41)43)25-7-3-5-9-28(25)36)20-38-34(40-32)39-24-13-11-21(12-14-24)22-15-17-37-18-16-22/h3-15,19-20,31,37H,16-18H2,1-2H3,(H,38,39,40)
InChIKeyFMVMWHXHTPDOLR-UHFFFAOYSA-N
XLogP6.83
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.11
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 54760931) is 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CC1(C)Oc2ccccc2C(=O)C1n1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21.
What is the InChIKey of 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FMVMWHXHTPDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClN5O3/c1-35(2)31(30(42)26-8-4-6-10-29(26)44-35)41-32-23(19-27(33(41)43)25-7-3-5-9-28(25)36)20-38-34(40-32)39-24-13-11-21(12-14-24)22-15-17-37-18-16-22/h3-15,19-20,31,37H,16-18H2,1-2H3,(H,38,39,40).
What are the key properties of 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 604.11 g/mol, XLogP of 6.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54760931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).