5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

About 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 139292357) has the molecular formula C25H25FN8O4 and a molecular weight of 520.53 g/mol. Its IUPAC name is 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-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-[(4-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID	139292357
Molecular Formula	C25H25FN8O4
Molecular Weight	520.53 g/mol
Exact Mass	520.20
IUPAC Name	5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-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)Nc1cc(=O)cc[nH]1
InChI	InChI=1S/C25H25FN8O4/c1-3-29-30-11-14(2)15-4-5-19-18(8-15)23(24(27)37)32-34(19)13-22(36)33-12-16(26)9-20(33)25(38)31-21-10-17(35)6-7-28-21/h3-8,10-11,16,20H,1,9,12-13H2,2H3,(H2,27,37)(H2,28,31,35,38)/b14-11+,30-29+
InChIKey	HJDFMLGWDHEJIQ-GPMXJGFCSA-N
XLogP	2.36
TPSA	167.90 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.53
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-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-[(4-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (CID 139292357) is 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-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-[(4-oxo-1H-pyridin-2-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-[(4-oxo-1H-pyridin-2-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)Nc1cc(=O)cc[nH]1.

What is the InChIKey of 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is HJDFMLGWDHEJIQ-GPMXJGFCSA-N. The full InChI is InChI=1S/C25H25FN8O4/c1-3-29-30-11-14(2)15-4-5-19-18(8-15)23(24(27)37)32-34(19)13-22(36)33-12-16(26)9-20(33)25(38)31-21-10-17(35)6-7-28-21/h3-8,10-11,16,20H,1,9,12-13H2,2H3,(H2,27,37)(H2,28,31,35,38)/b14-11+,30-29+.

What are the key properties of 5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

5-[(E)-1-(ethenyldiazenyl)prop-1-en-2-yl]-1-[2-[4-fluoro-2-[(4-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 520.53 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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-[(4-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 139292357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).