5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide

C23H24ClFN6O4 — CID 130299698

IUPAC5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N(CC(=O)NC(CO)c2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12
InChIInChI=1S/C23H24ClFN6O4/c24-16-3-1-2-14(21(16)25)17(11-32)28-19(33)9-30(13-5-6-13)20(34)10-31-18-7-4-12(26)8-15(18)22(29-31)23(27)35/h1-4,7-8,13,17,32H,5-6,9-11,26H2,(H2,27,35)(H,28,33)
InChIKeyRWWWDMVCEWGTNN-UHFFFAOYSA-N
MW502.93 g/mol
LogP1.35
Rot. Bonds9

About 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide

5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 130299698) has the molecular formula C23H24ClFN6O4 and a molecular weight of 502.93 g/mol. Its IUPAC name is 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID130299698
Molecular FormulaC23H24ClFN6O4
Molecular Weight502.93 g/mol
Exact Mass502.15
IUPAC Name5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N(CC(=O)NC(CO)c2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12
InChIInChI=1S/C23H24ClFN6O4/c24-16-3-1-2-14(21(16)25)17(11-32)28-19(33)9-30(13-5-6-13)20(34)10-31-18-7-4-12(26)8-15(18)22(29-31)23(27)35/h1-4,7-8,13,17,32H,5-6,9-11,26H2,(H2,27,35)(H,28,33)
InChIKeyRWWWDMVCEWGTNN-UHFFFAOYSA-N
XLogP1.35
TPSA156.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.93
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide (CID 130299698) is 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N(CC(=O)NC(CO)c2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12.
What is the InChIKey of 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is RWWWDMVCEWGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6O4/c24-16-3-1-2-14(21(16)25)17(11-32)28-19(33)9-30(13-5-6-13)20(34)10-31-18-7-4-12(26)8-15(18)22(29-31)23(27)35/h1-4,7-8,13,17,32H,5-6,9-11,26H2,(H2,27,35)(H,28,33).
What are the key properties of 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?
5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 502.93 g/mol, XLogP of 1.35, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[[2-[[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 130299698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).