7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C26H29N7O4 — CID 58279501

About 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 58279501) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

• Compound Name: 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
• PubChem CID: 58279501
• Molecular Formula: C26H29N7O4
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.23
• IUPAC Name: 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
• SMILES: C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2nc(-c3ccc4c(c3)C(=O)NCC(=O)N4)ccc12
• InChI: InChI=1S/C26H29N7O4/c1-15-13-36-9-7-32(15)24-18-4-6-20(17-3-5-21-19(11-17)25(35)27-12-22(34)28-21)29-23(18)30-26(31-24)33-8-10-37-14-16(33)2/h3-6,11,15-16H,7-10,12-14H2,1-2H3,(H,27,35)(H,28,34)/t15-,16+/m1/s1
• InChIKey: YLQUHTISBHRURP-CVEARBPZSA-N
• XLogP: 1.82
• TPSA: 121.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

The IUPAC name of 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 58279501) is 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

What is the SMILES notation for 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

The canonical SMILES for 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2nc(-c3ccc4c(c3)C(=O)NCC(=O)N4)ccc12.

What is the InChIKey of 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

The InChIKey is YLQUHTISBHRURP-CVEARBPZSA-N. The full InChI is InChI=1S/C26H29N7O4/c1-15-13-36-9-7-32(15)24-18-4-6-20(17-3-5-21-19(11-17)25(35)27-12-22(34)28-21)29-23(18)30-26(31-24)33-8-10-37-14-16(33)2/h3-6,11,15-16H,7-10,12-14H2,1-2H3,(H,27,35)(H,28,34)/t15-,16+/m1/s1.

What are the key properties of 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 503.56 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 58279501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).