N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide

C33H35N9O3 — CID 67515872

About N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide

N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide (PubChem CID 67515872) has the molecular formula C33H35N9O3 and a molecular weight of 605.70 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide
• PubChem CID: 67515872
• Molecular Formula: C33H35N9O3
• Molecular Weight: 605.70 g/mol
• Exact Mass: 605.29
• IUPAC Name: N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide
• SMILES: Cc1nn(C)c(C)c1-c1cnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N(C)C)cc4)cc3)nc2c1
• InChI: InChI=1S/C33H35N9O3/c1-20-28(21(2)41(5)39-20)24-18-27-29(34-19-24)31(42-14-16-45-17-15-42)38-30(37-27)22-6-10-25(11-7-22)35-33(44)36-26-12-8-23(9-13-26)32(43)40(3)4/h6-13,18-19H,14-17H2,1-5H3,(H2,35,36,44)
• InChIKey: ROIPGBZCGIEKHH-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 130.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.70
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide?

The IUPAC name of N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide (CID 67515872) is N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide.

What is the SMILES notation for N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide?

The canonical SMILES for N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide is Cc1nn(C)c(C)c1-c1cnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N(C)C)cc4)cc3)nc2c1.

What is the InChIKey of N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide?

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

What are the key properties of N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide?

N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide has a molecular weight of 605.70 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 67515872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).