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

C33H34FN9O3 — CID 67518037

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

4-[[2-fluoro-4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (PubChem CID 67518037) has the molecular formula C33H34FN9O3 and a molecular weight of 623.69 g/mol. Its IUPAC name is 4-[[2-fluoro-4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[[2-fluoro-4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
• PubChem CID: 67518037
• Molecular Formula: C33H34FN9O3
• Molecular Weight: 623.69 g/mol
• Exact Mass: 623.28
• IUPAC Name: 4-[[2-fluoro-4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
• SMILES: Cc1nn(C)c(C)c1-c1cnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N(C)C)cc4)c(F)c3)nc2c1
• InChI: InChI=1S/C33H34FN9O3/c1-19-28(20(2)42(5)40-19)23-17-27-29(35-18-23)31(43-12-14-46-15-13-43)39-30(37-27)22-8-11-26(25(34)16-22)38-33(45)36-24-9-6-21(7-10-24)32(44)41(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,36,38,45)
• InChIKey: NEJJDIFDEIXIIZ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 130.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.69
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[[2-fluoro-4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (CID 67518037) is 4-[[2-fluoro-4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.

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

The canonical SMILES for 4-[[2-fluoro-4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is Cc1nn(C)c(C)c1-c1cnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N(C)C)cc4)c(F)c3)nc2c1.

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

The InChIKey is NEJJDIFDEIXIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN9O3/c1-19-28(20(2)42(5)40-19)23-17-27-29(35-18-23)31(43-12-14-46-15-13-43)39-30(37-27)22-8-11-26(25(34)16-22)38-33(45)36-24-9-6-21(7-10-24)32(44)41(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,36,38,45).

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

4-[[2-fluoro-4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide has a molecular weight of 623.69 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-fluoro-4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 67518037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).