5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid

C34H30N6O3 — CID 59407247

IUPAC5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid
SMILESCCc1cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)cc(-c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C34H30N6O3/c1-3-22-13-24(25-15-26(33(41)42)19-36-18-25)16-27(14-22)37-34(43)40-12-10-30-29(20-40)31(28-9-5-4-7-21(28)2)39-32(38-30)23-8-6-11-35-17-23/h4-9,11,13-19H,3,10,12,20H2,1-2H3,(H,37,43)(H,41,42)
InChIKeyAVIRIRFJYJERQT-UHFFFAOYSA-N
MW570.65 g/mol
LogP6.43
Rot. Bonds6

About 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid

5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid (PubChem CID 59407247) has the molecular formula C34H30N6O3 and a molecular weight of 570.65 g/mol. Its IUPAC name is 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid
PubChem CID59407247
Molecular FormulaC34H30N6O3
Molecular Weight570.65 g/mol
Exact Mass570.24
IUPAC Name5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid
SMILESCCc1cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)cc(-c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C34H30N6O3/c1-3-22-13-24(25-15-26(33(41)42)19-36-18-25)16-27(14-22)37-34(43)40-12-10-30-29(20-40)31(28-9-5-4-7-21(28)2)39-32(38-30)23-8-6-11-35-17-23/h4-9,11,13-19H,3,10,12,20H2,1-2H3,(H,37,43)(H,41,42)
InChIKeyAVIRIRFJYJERQT-UHFFFAOYSA-N
XLogP6.43
TPSA121.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid (CID 59407247) is 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid is CCc1cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)cc(-c2cncc(C(=O)O)c2)c1.
What is the InChIKey of 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid?
The InChIKey is AVIRIRFJYJERQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N6O3/c1-3-22-13-24(25-15-26(33(41)42)19-36-18-25)16-27(14-22)37-34(43)40-12-10-30-29(20-40)31(28-9-5-4-7-21(28)2)39-32(38-30)23-8-6-11-35-17-23/h4-9,11,13-19H,3,10,12,20H2,1-2H3,(H,37,43)(H,41,42).
What are the key properties of 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid?
5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid has a molecular weight of 570.65 g/mol, XLogP of 6.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-5-[[4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59407247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).