(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone

C17H15FN4O — CID 118879484

IUPAC(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc12
InChIInChI=1S/C17H15FN4O/c18-12-4-1-10(2-5-12)15-7-8-22(15)17(23)11-3-6-14-13(9-11)16(19)21-20-14/h1-6,9,15H,7-8H2,(H3,19,20,21)/t15-/m0/s1
InChIKeyGHYABPDMZQFTSA-HNNXBMFYSA-N
MW310.33 g/mol
LogP2.87
Rot. Bonds2

About (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone

(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone (PubChem CID 118879484) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
PubChem CID118879484
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc12
InChIInChI=1S/C17H15FN4O/c18-12-4-1-10(2-5-12)15-7-8-22(15)17(23)11-3-6-14-13(9-11)16(19)21-20-14/h1-6,9,15H,7-8H2,(H3,19,20,21)/t15-/m0/s1
InChIKeyGHYABPDMZQFTSA-HNNXBMFYSA-N
XLogP2.87
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Amino-1h-Indazol-5-Yl)[(2s)-2-(4-Fluorophenyl)piperidin-1-Yl]methanone
CID 118879516
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175712
2-Amino-N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
CID 25175860
N-[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]-2-{[(1-methylazetidin-3-yl)methyl]amino}-4-(4-methylpiperazin-1-yl)benzamide
CID 59577341
6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide
CID 90644662
6-(3-amino-1H-indazol-4-yl)-N-ethylnaphthalene-1-carboxamide
CID 90644671
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 118879418
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone
CID 118879424
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 118879477
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118879520
N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
CID 118959947

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone (CID 118879484) is (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone is Nc1n[nH]c2ccc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc12.
What is the InChIKey of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone?
The InChIKey is GHYABPDMZQFTSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-12-4-1-10(2-5-12)15-7-8-22(15)17(23)11-3-6-14-13(9-11)16(19)21-20-14/h1-6,9,15H,7-8H2,(H3,19,20,21)/t15-/m0/s1.
What are the key properties of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone?
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone has a molecular weight of 310.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 118879484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).