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

C18H17FN4O — CID 118879418

IUPAC(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc12
InChIInChI=1S/C18H17FN4O/c19-13-6-3-11(4-7-13)16-2-1-9-23(16)18(24)12-5-8-15-14(10-12)17(20)22-21-15/h3-8,10,16H,1-2,9H2,(H3,20,21,22)/t16-/m0/s1
InChIKeyZOKLUCHKTUZIJY-INIZCTEOSA-N
MW324.36 g/mol
LogP3.26
Rot. Bonds2

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

(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 118879418) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID118879418
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc12
InChIInChI=1S/C18H17FN4O/c19-13-6-3-11(4-7-13)16-2-1-9-23(16)18(24)12-5-8-15-14(10-12)17(20)22-21-15/h3-8,10,16H,1-2,9H2,(H3,20,21,22)/t16-/m0/s1
InChIKeyZOKLUCHKTUZIJY-INIZCTEOSA-N
XLogP3.26
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
(3-Amino-1h-Indazol-5-Yl)[(2s)-2-(4-Fluorophenyl)piperidin-1-Yl]methanone
CID 118879516
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 91827689
N-[3-(1h-Tetrazol-5-Yl)phenyl]-2h-Indazole-5-Carboxamide
CID 56851706
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(2-fluoroethylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25174241
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
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
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone
CID 118879424

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (CID 118879418) is (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is Nc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc12.
What is the InChIKey of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZOKLUCHKTUZIJY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-13-6-3-11(4-7-13)16-2-1-9-23(16)18(24)12-5-8-15-14(10-12)17(20)22-21-15/h3-8,10,16H,1-2,9H2,(H3,20,21,22)/t16-/m0/s1.
What are the key properties of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 324.36 g/mol, XLogP of 3.26, 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)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118879418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).