5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide

C38H36N10O4 — CID 137024804

About 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide

5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide (PubChem CID 137024804) has the molecular formula C38H36N10O4 and a molecular weight of 696.77 g/mol. Its IUPAC name is 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide
• PubChem CID: 137024804
• Molecular Formula: C38H36N10O4
• Molecular Weight: 696.77 g/mol
• Exact Mass: 696.29
• IUPAC Name: 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n[nH]c(C(=O)N(C)C)c5c4)n3)c3ccccc23)cc1
• InChI: InChI=1S/C38H36N10O4/c1-22(2)31-21-33(48(46-31)24-11-13-25(51-5)14-12-24)42-38(50)41-29-16-17-32(27-9-7-6-8-26(27)29)52-34-18-19-39-37(43-34)40-23-10-15-30-28(20-23)35(45-44-30)36(49)47(3)4/h6-22H,1-5H3,(H,44,45)(H,39,40,43)(H2,41,42,50)
• InChIKey: MGVWPOMQHQAMAV-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 164.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.77
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide?

The IUPAC name of 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide (CID 137024804) is 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide.

What is the SMILES notation for 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide?

The canonical SMILES for 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide is COc1ccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n[nH]c(C(=O)N(C)C)c5c4)n3)c3ccccc23)cc1.

What is the InChIKey of 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide?

The InChIKey is MGVWPOMQHQAMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N10O4/c1-22(2)31-21-33(48(46-31)24-11-13-25(51-5)14-12-24)42-38(50)41-29-16-17-32(27-9-7-6-8-26(27)29)52-34-18-19-39-37(43-34)40-23-10-15-30-28(20-23)35(45-44-30)36(49)47(3)4/h6-22H,1-5H3,(H,44,45)(H,39,40,43)(H2,41,42,50).

What are the key properties of 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide?

5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide has a molecular weight of 696.77 g/mol, XLogP of 7.71, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-N,N-dimethyl-2H-indazole-3-carboxamide is sourced from PubChem (CID 137024804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).