4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide

C33H35N9O3 — CID 67517623

About 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide

4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (PubChem CID 67517623) has the molecular formula C33H35N9O3 and a molecular weight of 605.70 g/mol. Its IUPAC name is 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
• PubChem CID: 67517623
• Molecular Formula: C33H35N9O3
• Molecular Weight: 605.70 g/mol
• Exact Mass: 605.29
• IUPAC Name: 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
• SMILES: CC1CN(c2nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N(C)C)cc4)cc3)nc3cc(-c4cnn(C)c4)cnc23)CC(C)O1
• InChI: InChI=1S/C33H35N9O3/c1-20-17-42(18-21(2)45-20)31-29-28(14-24(15-34-29)25-16-35-41(5)19-25)38-30(39-31)22-6-10-26(11-7-22)36-33(44)37-27-12-8-23(9-13-27)32(43)40(3)4/h6-16,19-21H,17-18H2,1-5H3,(H2,36,37,44)
• InChIKey: SSIDBJFOEOBOCK-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 130.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.70
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?

The IUPAC name of 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (CID 67517623) is 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?

The canonical SMILES for 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is CC1CN(c2nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N(C)C)cc4)cc3)nc3cc(-c4cnn(C)c4)cnc23)CC(C)O1.

What is the InChIKey of 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?

The InChIKey is SSIDBJFOEOBOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N9O3/c1-20-17-42(18-21(2)45-20)31-29-28(14-24(15-34-29)25-16-35-41(5)19-25)38-30(39-31)22-6-10-26(11-7-22)36-33(44)37-27-12-8-23(9-13-27)32(43)40(3)4/h6-16,19-21H,17-18H2,1-5H3,(H2,36,37,44).

What are the key properties of 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?

4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide has a molecular weight of 605.70 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[4-(2,6-dimethylmorpholin-4-yl)-7-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 67517623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).