5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum

C35H31Cl2F2MoN6O3- — CID 177215757

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

5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum (PubChem CID 177215757) has the molecular formula C35H31Cl2F2MoN6O3- and a molecular weight of 788.51 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum.

Molecular Properties

• Compound Name: 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum
• PubChem CID: 177215757
• Molecular Formula: C35H31Cl2F2MoN6O3-
• Molecular Weight: 788.51 g/mol
• Exact Mass: 789.09
• IUPAC Name: 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum
• SMILES: COc1nc(-c2cccc(-c3cccc(Nc4nc(C(F)F)cc5cnn(C)c(=O)c45)c3Cl)c2Cl)cc2c1C(NC1[CH-]COCC1)CC2.[Mo]
• InChI: InChI=1S/C35H31Cl2F2N6O3.Mo/c1-45-35(46)29-19(17-40-45)16-27(32(38)39)43-33(29)42-25-8-4-6-22(31(25)37)21-5-3-7-23(30(21)36)26-15-18-9-10-24(28(18)34(44-26)47-2)41-20-11-13-48-14-12-20;/h3-8,11,15-17,20,24,32,41H,9-10,12-14H2,1-2H3,(H,42,43);/q-1
• InChIKey: HTMKGWUVECZTJY-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.51
LogP ≤ 5	7.62
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-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum?

The IUPAC name of 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum (CID 177215757) is 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum.

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

The canonical SMILES for 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum is COc1nc(-c2cccc(-c3cccc(Nc4nc(C(F)F)cc5cnn(C)c(=O)c45)c3Cl)c2Cl)cc2c1C(NC1[CH-]COCC1)CC2.[Mo].

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

The InChIKey is HTMKGWUVECZTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31Cl2F2N6O3.Mo/c1-45-35(46)29-19(17-40-45)16-27(32(38)39)43-33(29)42-25-8-4-6-22(31(25)37)21-5-3-7-23(30(21)36)26-15-18-9-10-24(28(18)34(44-26)47-2)41-20-11-13-48-14-12-20;/h3-8,11,15-17,20,24,32,41H,9-10,12-14H2,1-2H3,(H,42,43);/q-1;.

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

5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum has a molecular weight of 788.51 g/mol, XLogP of 7.62, 8 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-[1-methoxy-7-(3,4,5,6-tetrahydro-2H-pyran-5-id-4-ylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;molybdenum is sourced from PubChem (CID 177215757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).