5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum

C36H36ClMoN6O3- — CID 177215860

About 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum

5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum (PubChem CID 177215860) has the molecular formula C36H36ClMoN6O3- and a molecular weight of 732.12 g/mol. Its IUPAC name is 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum.

Molecular Properties

• Compound Name: 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum
• PubChem CID: 177215860
• Molecular Formula: C36H36ClMoN6O3-
• Molecular Weight: 732.12 g/mol
• Exact Mass: 733.16
• IUPAC Name: 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum
• SMILES: COc1nc(-c2cccc(-c3cccc(Nc4nc(C)cc5cnn(C)c(=O)c45)c3C)c2Cl)cc2c1[C@@H](N[C@@H]1[CH-]COCC1)CC2.[Mo]
• InChI: InChI=1S/C36H36ClN6O3.Mo/c1-20-17-23-19-38-43(3)36(44)32(23)34(39-20)41-28-10-6-7-25(21(28)2)26-8-5-9-27(33(26)37)30-18-22-11-12-29(31(22)35(42-30)45-4)40-24-13-15-46-16-14-24;/h5-10,13,17-19,24,29,40H,11-12,14-16H2,1-4H3,(H,39,41);/q-1;/t24-,29+;/m1./s1
• InChIKey: UUZKNBWJTYDSRJ-JOXSQSBCSA-N
• XLogP: 6.65
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.12
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum?

The IUPAC name of 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum (CID 177215860) is 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum.

What is the SMILES notation for 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum?

The canonical SMILES for 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum is COc1nc(-c2cccc(-c3cccc(Nc4nc(C)cc5cnn(C)c(=O)c45)c3C)c2Cl)cc2c1[C@@H](N[C@@H]1[CH-]COCC1)CC2.[Mo].

What is the InChIKey of 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum?

The InChIKey is UUZKNBWJTYDSRJ-JOXSQSBCSA-N. The full InChI is InChI=1S/C36H36ClN6O3.Mo/c1-20-17-23-19-38-43(3)36(44)32(23)34(39-20)41-28-10-6-7-25(21(28)2)26-8-5-9-27(33(26)37)30-18-22-11-12-29(31(22)35(42-30)45-4)40-24-13-15-46-16-14-24;/h5-10,13,17-19,24,29,40H,11-12,14-16H2,1-4H3,(H,39,41);/q-1;/t24-,29+;/m1./s1.

What are the key properties of 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum?

5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum has a molecular weight of 732.12 g/mol, XLogP of 6.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4R)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3,7-dimethylpyrido[3,4-d]pyridazin-4-one;molybdenum is sourced from PubChem (CID 177215860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).