5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

C29H32FN9O3 — CID 139292330

About 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 139292330) has the molecular formula C29H32FN9O3 and a molecular weight of 573.63 g/mol. Its IUPAC name is 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 139292330
• Molecular Formula: C29H32FN9O3
• Molecular Weight: 573.63 g/mol
• Exact Mass: 573.26
• IUPAC Name: 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
• SMILES: C=C/N=N/C=C(\C)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N1CC(F)CC1C(=O)NC1CN(C)Cc2ncccc21
• InChI: InChI=1S/C29H32FN9O3/c1-4-33-34-12-17(2)18-7-8-24-21(10-18)27(28(31)41)36-39(24)16-26(40)38-13-19(30)11-25(38)29(42)35-23-15-37(3)14-22-20(23)6-5-9-32-22/h4-10,12,19,23,25H,1,11,13-16H2,2-3H3,(H2,31,41)(H,35,42)/b17-12+,34-33+
• InChIKey: VDMIMDMRTKZDBA-KUOAKADXSA-N
• XLogP: 2.73
• TPSA: 151.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.63
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (CID 139292330) is 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is C=C/N=N/C=C(\C)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N1CC(F)CC1C(=O)NC1CN(C)Cc2ncccc21.

What is the InChIKey of 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is VDMIMDMRTKZDBA-KUOAKADXSA-N. The full InChI is InChI=1S/C29H32FN9O3/c1-4-33-34-12-17(2)18-7-8-24-21(10-18)27(28(31)41)36-39(24)16-26(40)38-13-19(30)11-25(38)29(42)35-23-15-37(3)14-22-20(23)6-5-9-32-22/h4-10,12,19,23,25H,1,11,13-16H2,2-3H3,(H2,31,41)(H,35,42)/b17-12+,34-33+.

What are the key properties of 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 573.63 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 139292330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).