1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea

C28H23Cl2N7O2 — CID 154686718

IUPAC1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea
SMILESCc1ccc(Nc2ncc3cc(-c4cc(NC(=O)Nc5cccc(Cl)c5Cl)ccc4C)n(C)c(=O)c3n2)cn1
InChIInChI=1S/C28H23Cl2N7O2/c1-15-7-9-18(34-28(39)35-22-6-4-5-21(29)24(22)30)12-20(15)23-11-17-13-32-27(36-25(17)26(38)37(23)3)33-19-10-8-16(2)31-14-19/h4-14H,1-3H3,(H,32,33,36)(H2,34,35,39)
InChIKeyGGDSRGLQXOGWTM-UHFFFAOYSA-N
MW560.45 g/mol
LogP6.70
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea

1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea (PubChem CID 154686718) has the molecular formula C28H23Cl2N7O2 and a molecular weight of 560.45 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea
PubChem CID154686718
Molecular FormulaC28H23Cl2N7O2
Molecular Weight560.45 g/mol
Exact Mass559.13
IUPAC Name1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea
SMILESCc1ccc(Nc2ncc3cc(-c4cc(NC(=O)Nc5cccc(Cl)c5Cl)ccc4C)n(C)c(=O)c3n2)cn1
InChIInChI=1S/C28H23Cl2N7O2/c1-15-7-9-18(34-28(39)35-22-6-4-5-21(29)24(22)30)12-20(15)23-11-17-13-32-27(36-25(17)26(38)37(23)3)33-19-10-8-16(2)31-14-19/h4-14H,1-3H3,(H,32,33,36)(H2,34,35,39)
InChIKeyGGDSRGLQXOGWTM-UHFFFAOYSA-N
XLogP6.70
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.45
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea with MolForge

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Launch Full Analysis

Related Compounds

N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide
CID 159598784
3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide
CID 164756372
N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 158809590
8-chloro-6-[2-methyl-5-(methylamino)phenyl]-N-(6-methyl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 166658139
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2,3-dichlorophenyl)urea
CID 108873170
methyl 4-methyl-3-[8-methyl-2-[(6-methyl-3-pyridinyl)amino]quinazolin-6-yl]benzoate
CID 166898902
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-thiophen-2-ylurea
CID 59212524
6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine
CID 166899002
N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
CID 59615252
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
6-(2,6-dichlorophenyl)-2-(4-hydroxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 142923567

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea (CID 154686718) is 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea is Cc1ccc(Nc2ncc3cc(-c4cc(NC(=O)Nc5cccc(Cl)c5Cl)ccc4C)n(C)c(=O)c3n2)cn1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea?
The InChIKey is GGDSRGLQXOGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2N7O2/c1-15-7-9-18(34-28(39)35-22-6-4-5-21(29)24(22)30)12-20(15)23-11-17-13-32-27(36-25(17)26(38)37(23)3)33-19-10-8-16(2)31-14-19/h4-14H,1-3H3,(H,32,33,36)(H2,34,35,39).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea?
1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea has a molecular weight of 560.45 g/mol, XLogP of 6.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea is sourced from PubChem (CID 154686718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).