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

C35H30Cl2F3MoN6O3- — CID 177216179

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

5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum (PubChem CID 177216179) has the molecular formula C35H30Cl2F3MoN6O3- and a molecular weight of 806.50 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum.

Molecular Properties

• Compound Name: 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum
• PubChem CID: 177216179
• Molecular Formula: C35H30Cl2F3MoN6O3-
• Molecular Weight: 806.50 g/mol
• Exact Mass: 807.08
• IUPAC Name: 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum
• SMILES: COc1nc(-c2cccc(-c3cccc(Nc4nc(C(F)(F)F)cc5cnn(C)c(=O)c45)c3Cl)c2Cl)cc2c1[C@@H](N[C@H]1[CH-]COCC1)CC2.[Mo]
• InChI: InChI=1S/C35H30Cl2F3N6O3.Mo/c1-46-34(47)29-19(17-41-46)16-27(35(38,39)40)45-32(29)43-25-8-4-6-22(31(25)37)21-5-3-7-23(30(21)36)26-15-18-9-10-24(28(18)33(44-26)48-2)42-20-11-13-49-14-12-20;/h3-8,11,15-17,20,24,42H,9-10,12-14H2,1-2H3,(H,43,45);/q-1;/t20-,24-;/m0./s1
• InChIKey: NFYPJONQHOAUTE-OGZMHEHASA-N
• XLogP: 7.70
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.50
LogP ≤ 5	7.70
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-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum?

The IUPAC name of 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum (CID 177216179) is 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum.

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

The canonical SMILES for 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum is COc1nc(-c2cccc(-c3cccc(Nc4nc(C(F)(F)F)cc5cnn(C)c(=O)c45)c3Cl)c2Cl)cc2c1[C@@H](N[C@H]1[CH-]COCC1)CC2.[Mo].

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

The InChIKey is NFYPJONQHOAUTE-OGZMHEHASA-N. The full InChI is InChI=1S/C35H30Cl2F3N6O3.Mo/c1-46-34(47)29-19(17-41-46)16-27(35(38,39)40)45-32(29)43-25-8-4-6-22(31(25)37)21-5-3-7-23(30(21)36)26-15-18-9-10-24(28(18)33(44-26)48-2)42-20-11-13-49-14-12-20;/h3-8,11,15-17,20,24,42H,9-10,12-14H2,1-2H3,(H,43,45);/q-1;/t20-,24-;/m0./s1.

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

5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum has a molecular weight of 806.50 g/mol, XLogP of 7.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(4S)-3,4,5,6-tetrahydro-2H-pyran-5-id-4-yl]amino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one;molybdenum is sourced from PubChem (CID 177216179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).