[5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid

C21H21FN4O2 — CID 155414022

IUPAC[5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C12CCC2
InChIInChI=1S/C21H21FN4O2/c22-15-2-4-16(5-3-15)26-18-7-6-17(12-14(18)13-23-26)25-11-8-19(24-20(27)28)21(25)9-1-10-21/h2-7,12-13,19,24H,1,8-11H2,(H,27,28)
InChIKeyDLTPZQIMEREROB-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.93
Rot. Bonds3

About [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid

[5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid (PubChem CID 155414022) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid.

Molecular Properties

Compound Name[5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid
PubChem CID155414022
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C12CCC2
InChIInChI=1S/C21H21FN4O2/c22-15-2-4-16(5-3-15)26-18-7-6-17(12-14(18)13-23-26)25-11-8-19(24-20(27)28)21(25)9-1-10-21/h2-7,12-13,19,24H,1,8-11H2,(H,27,28)
InChIKeyDLTPZQIMEREROB-UHFFFAOYSA-N
XLogP3.93
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-3-yl]carbamate
CID 155414134
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
2,2-difluoro-N-[(3S,5S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-methyl-2-phenylpyrrolidin-3-yl]propanamide
CID 155433265
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 156742102
N-[(2R,3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684660
[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid
CID 67113503
ethane;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 154641896
N-[(2S,3S)-2-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684522
3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid
CID 91433209
1-(4-fluorophenyl)indazol-5-amine
CID 59235727
4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
CID 138684671

Frequently Asked Questions

What is the IUPAC name of [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid?
The IUPAC name of [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid (CID 155414022) is [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid.
What is the SMILES notation for [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid?
The canonical SMILES for [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid is O=C(O)NC1CCN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C12CCC2.
What is the InChIKey of [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid?
The InChIKey is DLTPZQIMEREROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-15-2-4-16(5-3-15)26-18-7-6-17(12-14(18)13-23-26)25-11-8-19(24-20(27)28)21(25)9-1-10-21/h2-7,12-13,19,24H,1,8-11H2,(H,27,28).
What are the key properties of [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid?
[5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid has a molecular weight of 380.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(4-fluorophenyl)indazol-5-yl]-5-azaspiro[3.4]octan-8-yl]carbamic acid is sourced from PubChem (CID 155414022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).