4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C64H70BClN18O8 — CID 157189687

About 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 157189687) has the molecular formula C64H70BClN18O8 and a molecular weight of 1265.65 g/mol. Its IUPAC name is 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• PubChem CID: 157189687
• Molecular Formula: C64H70BClN18O8
• Molecular Weight: 1265.65 g/mol
• Exact Mass: 1264.54
• IUPAC Name: 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• SMILES: CN1CCn2nc(Nc3cc(-c4ccnc(-n5ncc6c7n(cc6c5=O)CCCC7)c4C=O)cn(C)c3=O)cc2C1.CN1CCn2nc(Nc3cc(B4OC(C)(C)C(C)(C)O4)cn(C)c3=O)cc2C1.O=Cc1c(Cl)ccnc1-n1ncc2c3n(cc2c1=O)CCCC3
• InChI: InChI=1S/C29H29N9O3.C19H28BN5O3.C16H13ClN4O2/c1-34-9-10-37-19(15-34)12-26(33-37)32-24-11-18(14-35(2)29(24)41)20-6-7-30-27(23(20)17-39)38-28(40)22-16-36-8-4-3-5-25(36)21(22)13-31-38;1-18(2)19(3,4)28-20(27-18)13-9-15(17(26)24(6)11-13)21-16-10-14-12-23(5)7-8-25(14)22-16;17-13-4-5-18-15(12(13)9-22)21-16(23)11-8-20-6-2-1-3-14(20)10(11)7-19-21/h6-7,11-14,16-17H,3-5,8-10,15H2,1-2H3,(H,32,33);9-11H,7-8,12H2,1-6H3,(H,21,22);4-5,7-9H,1-3,6H2
• InChIKey: APNYRFGEARCTHQ-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 268.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1265.65
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The IUPAC name of 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 157189687) is 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

What is the SMILES notation for 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The canonical SMILES for 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CN1CCn2nc(Nc3cc(-c4ccnc(-n5ncc6c7n(cc6c5=O)CCCC7)c4C=O)cn(C)c3=O)cc2C1.CN1CCn2nc(Nc3cc(B4OC(C)(C)C(C)(C)O4)cn(C)c3=O)cc2C1.O=Cc1c(Cl)ccnc1-n1ncc2c3n(cc2c1=O)CCCC3.

What is the InChIKey of 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The InChIKey is APNYRFGEARCTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N9O3.C19H28BN5O3.C16H13ClN4O2/c1-34-9-10-37-19(15-34)12-26(33-37)32-24-11-18(14-35(2)29(24)41)20-6-7-30-27(23(20)17-39)38-28(40)22-16-36-8-4-3-5-25(36)21(22)13-31-38;1-18(2)19(3,4)28-20(27-18)13-9-15(17(26)24(6)11-13)21-16-10-14-12-23(5)7-8-25(14)22-16;17-13-4-5-18-15(12(13)9-22)21-16(23)11-8-20-6-2-1-3-14(20)10(11)7-19-21/h6-7,11-14,16-17H,3-5,8-10,15H2,1-2H3,(H,32,33);9-11H,7-8,12H2,1-6H3,(H,21,22);4-5,7-9H,1-3,6H2.

What are the key properties of 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 1265.65 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde;1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 157189687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).