N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide

C23H19FN4O2 — CID 91106086

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2c(C=Cc3ccc4ccccc4c3)n[nH]c2cc1F)C(N)=O
InChIInChI=1S/C23H19FN4O2/c1-13(22(25)29)26-23(30)17-11-18-20(27-28-21(18)12-19(17)24)9-7-14-6-8-15-4-2-3-5-16(15)10-14/h2-13H,1H3,(H2,25,29)(H,26,30)(H,27,28)/t13-/m0/s1
InChIKeyQZLONSQNWKSNBL-ZDUSSCGKSA-N
MW402.43 g/mol
LogP3.63
Rot. Bonds5

About N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide (PubChem CID 91106086) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide
PubChem CID91106086
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2c(C=Cc3ccc4ccccc4c3)n[nH]c2cc1F)C(N)=O
InChIInChI=1S/C23H19FN4O2/c1-13(22(25)29)26-23(30)17-11-18-20(27-28-21(18)12-19(17)24)9-7-14-6-8-15-4-2-3-5-16(15)10-14/h2-13H,1H3,(H2,25,29)(H,26,30)(H,27,28)/t13-/m0/s1
InChIKeyQZLONSQNWKSNBL-ZDUSSCGKSA-N
XLogP3.63
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
CID 59796899
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 91114407
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide
CID 91407408
6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72564568
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyridine-2-carboxamide
CID 72628181
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide
CID 59797007
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
CID 86785546
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide
CID 72628295
1-N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-methylbutane-1,2-diamine
CID 68932693
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136601640
1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol
CID 59797140

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide (CID 91106086) is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide is C[C@H](NC(=O)c1cc2c(C=Cc3ccc4ccccc4c3)n[nH]c2cc1F)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide?
The InChIKey is QZLONSQNWKSNBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-13(22(25)29)26-23(30)17-11-18-20(27-28-21(18)12-19(17)24)9-7-14-6-8-15-4-2-3-5-16(15)10-14/h2-13H,1H3,(H2,25,29)(H,26,30)(H,27,28)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 91106086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).