1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one

C15H18ClFN4O — CID 121326428

IUPAC1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H18ClFN4O/c1-15(2,17)14(22)21-5-3-20(4-6-21)13-8-10(16)7-12-11(13)9-18-19-12/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyLGQHUWTZJBIIAT-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.61
Rot. Bonds2

About 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one

1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one (PubChem CID 121326428) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
PubChem CID121326428
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC Name1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H18ClFN4O/c1-15(2,17)14(22)21-5-3-20(4-6-21)13-8-10(16)7-12-11(13)9-18-19-12/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyLGQHUWTZJBIIAT-UHFFFAOYSA-N
XLogP2.61
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 121326426
6-chloro-4-pyrrolidin-1-yl-1H-indazole
CID 138559858
1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326388
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-4-carboxamide
CID 121326810
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
CID 158303166
1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326406
N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
CID 146647459
3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 121326664
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166328389
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol
CID 146516487
8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 121326774

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one (CID 121326428) is 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one is CC(C)(F)C(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one?
The InChIKey is LGQHUWTZJBIIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O/c1-15(2,17)14(22)21-5-3-20(4-6-21)13-8-10(16)7-12-11(13)9-18-19-12/h7-9H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one?
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one has a molecular weight of 324.79 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 121326428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).