6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium

C25H26Cl2N6O3V — CID 161331394

IUPAC6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium
SMILESCOn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc(C(=O)CCCN(C)C)n(C)c3)nc21.[V]
InChIInChI=1S/C25H26Cl2N6O3.V/c1-31(2)10-6-9-21(34)20-12-16(14-32(20)3)29-25-28-13-15-11-17(22-18(26)7-5-8-19(22)27)24(35)33(36-4)23(15)30-25;/h5,7-8,11-14H,6,9-10H2,1-4H3,(H,28,29,30);
InChIKeyVLLRYTJJCIFXMV-UHFFFAOYSA-N
MW580.37 g/mol
LogP4.43
Rot. Bonds9

About 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium

6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium (PubChem CID 161331394) has the molecular formula C25H26Cl2N6O3V and a molecular weight of 580.37 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium
PubChem CID161331394
Molecular FormulaC25H26Cl2N6O3V
Molecular Weight580.37 g/mol
Exact Mass579.09
IUPAC Name6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium
SMILESCOn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc(C(=O)CCCN(C)C)n(C)c3)nc21.[V]
InChIInChI=1S/C25H26Cl2N6O3.V/c1-31(2)10-6-9-21(34)20-12-16(14-32(20)3)29-25-28-13-15-11-17(22-18(26)7-5-8-19(22)27)24(35)33(36-4)23(15)30-25;/h5,7-8,11-14H,6,9-10H2,1-4H3,(H,28,29,30);
InChIKeyVLLRYTJJCIFXMV-UHFFFAOYSA-N
XLogP4.43
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium with MolForge

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Related Compounds

2-[[4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-methylpyrrole-2-carbonyl]amino]ethyl 3-methylpentanoate
CID 143658350
6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 24938205
4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 58395637
6-(2,6-dichlorophenyl)-8-methoxy-2-[4-(2-oxo-5-pyrrolidin-1-ylpentyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 58395649
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-(hydroxyiminomethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 76775743
2-[4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 67334505
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-(4-methanimidoylanilino)-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 90201090
4-[[6-(2-chloro-6-iodophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
CID 71103821
6-(2,6-dichlorophenyl)-2-[5-(hydroxymethyl)-2-methylanilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 25054207
6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 90788011

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium (CID 161331394) is 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium is COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc(C(=O)CCCN(C)C)n(C)c3)nc21.[V].
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium?
The InChIKey is VLLRYTJJCIFXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N6O3.V/c1-31(2)10-6-9-21(34)20-12-16(14-32(20)3)29-25-28-13-15-11-17(22-18(26)7-5-8-19(22)27)24(35)33(36-4)23(15)30-25;/h5,7-8,11-14H,6,9-10H2,1-4H3,(H,28,29,30);.
What are the key properties of 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium?
6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium has a molecular weight of 580.37 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium is sourced from PubChem (CID 161331394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).