8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde

C70H70N12O10 — CID 161412302

About 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde

8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde (PubChem CID 161412302) has the molecular formula C70H70N12O10 and a molecular weight of 1239.40 g/mol. Its IUPAC name is 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde.

Molecular Properties

• Compound Name: 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde
• PubChem CID: 161412302
• Molecular Formula: C70H70N12O10
• Molecular Weight: 1239.40 g/mol
• Exact Mass: 1238.53
• IUPAC Name: 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde
• SMILES: Cn1cc(-c2cccc(N3CCNc4cc(C5CC5)ccc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1cc(-c2cccc(N3CCNc4cc(C5CC5)ccc4C3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
• InChI: InChI=1S/C35H36N6O5.C35H34N6O5/c2*1-39-20-25(18-30(35(39)45)38-32-10-8-24(19-37-32)33(43)40-13-15-46-16-14-40)26-3-2-4-31(28(26)21-42)41-12-11-36-29-17-23(22-5-6-22)7-9-27(29)34(41)44/h2-4,7-10,17-20,22,36,42H,5-6,11-16,21H2,1H3,(H,37,38);2-4,7-10,17-22,36H,5-6,11-16H2,1H3,(H,37,38)
• InChIKey: VVPZSILBYWMFAZ-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 254.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.40
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde?

The IUPAC name of 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde (CID 161412302) is 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde.

What is the SMILES notation for 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde?

The canonical SMILES for 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde is Cn1cc(-c2cccc(N3CCNc4cc(C5CC5)ccc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1cc(-c2cccc(N3CCNc4cc(C5CC5)ccc4C3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.

What is the InChIKey of 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde?

The InChIKey is VVPZSILBYWMFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O5.C35H34N6O5/c2*1-39-20-25(18-30(35(39)45)38-32-10-8-24(19-37-32)33(43)40-13-15-46-16-14-40)26-3-2-4-31(28(26)21-42)41-12-11-36-29-17-23(22-5-6-22)7-9-27(29)34(41)44/h2-4,7-10,17-20,22,36,42H,5-6,11-16,21H2,1H3,(H,37,38);2-4,7-10,17-22,36H,5-6,11-16H2,1H3,(H,37,38).

What are the key properties of 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde?

8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde has a molecular weight of 1239.40 g/mol, XLogP of 8.53, 14 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one;2-(8-cyclopropyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 161412302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).