(5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone

C21H18ClN3O — CID 25024712

IUPAC(5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(Cl)cc2cn[nH]c12)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H18ClN3O/c22-16-11-15-13-23-24-19(15)17(12-16)20(26)25-9-7-21(8-10-25)6-5-14-3-1-2-4-18(14)21/h1-6,11-13H,7-10H2,(H,23,24)
InChIKeyPTHATRVENIKYAT-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.42
Rot. Bonds1

About (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone

(5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone (PubChem CID 25024712) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
PubChem CID25024712
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name(5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(Cl)cc2cn[nH]c12)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H18ClN3O/c22-16-11-15-13-23-24-19(15)17(12-16)20(26)25-9-7-21(8-10-25)6-5-14-3-1-2-4-18(14)21/h1-6,11-13H,7-10H2,(H,23,24)
InChIKeyPTHATRVENIKYAT-UHFFFAOYSA-N
XLogP4.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 25024516
[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 166368124
3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone
CID 11580728
spiro[indene-1,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 119072765
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 70782218
(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 72903177
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 151278351
(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
CID 166182991
7-(4-fluoro-2-methylanilino)-6-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540926
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 44553982
[4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 166623084

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone (CID 25024712) is (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone is O=C(c1cc(Cl)cc2cn[nH]c12)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is PTHATRVENIKYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-16-11-15-13-23-24-19(15)17(12-16)20(26)25-9-7-21(8-10-25)6-5-14-3-1-2-4-18(14)21/h1-6,11-13H,7-10H2,(H,23,24).
What are the key properties of (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
(5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 363.85 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 25024712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).