(1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide

C16H21FN4O — CID 163295175

IUPAC(1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide
SMILESC1C[C@@H]2CC[C@H](C1)N2.O=CNCc1ccc2n[nH]c(F)c2c1
InChIInChI=1S/C9H8FN3O.C7H13N/c10-9-7-3-6(4-11-5-14)1-2-8(7)12-13-9;1-2-6-4-5-7(3-1)8-6/h1-3,5H,4H2,(H,11,14)(H,12,13);6-8H,1-5H2/t;6-,7+
InChIKeyCCVSGTFJFZELMQ-DAULDNKOSA-N
MW304.37 g/mol
LogP2.24
Rot. Bonds3

About (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide

(1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide (PubChem CID 163295175) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide.

Molecular Properties

Compound Name(1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide
PubChem CID163295175
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name(1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide
SMILESC1C[C@@H]2CC[C@H](C1)N2.O=CNCc1ccc2n[nH]c(F)c2c1
InChIInChI=1S/C9H8FN3O.C7H13N/c10-9-7-3-6(4-11-5-14)1-2-8(7)12-13-9;1-2-6-4-5-7(3-1)8-6/h1-3,5H,4H2,(H,11,14)(H,12,13);6-8H,1-5H2/t;6-,7+
InChIKeyCCVSGTFJFZELMQ-DAULDNKOSA-N
XLogP2.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-2H-indazol-5-yl)methanamine
CID 167375021
5-bromo-3-fluoro-2H-indazole
CID 66793399
3-fluoro-2H-indazole-5-carboxylic acid
CID 118879459
N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
CID 118871355
3-(3-chloro-2H-indazol-5-yl)propanal
CID 117298075
(E)-4-[4-[(E)-2-cyclobutyl-1-(3-fluoro-2H-indazol-5-yl)-2-phenylethenyl]phenyl]but-2-enimidamide
CID 141471325
N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide
CID 156802697
N-[(4-ethynyl-3-fluorophenyl)methyl]formamide
CID 166458706
N-[(3-cyano-4-fluorophenyl)methyl]formamide
CID 87090895
(E)-1-[4-[(E)-2-cyclobutyl-1-(3-fluoro-2H-indazol-5-yl)-2-phenylethenyl]phenyl]pent-1-en-3-one
CID 161309359
N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide
CID 145277757
[2-[(Z)-2-cyclobutyl-1-(3-fluoro-2H-indazol-5-yl)-2-[4-(hydroxymethyl)-2-methylphenyl]ethenyl]phenyl] prop-2-enoate
CID 118007066

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide?
The IUPAC name of (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide (CID 163295175) is (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide.
What is the SMILES notation for (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide?
The canonical SMILES for (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide is C1C[C@@H]2CC[C@H](C1)N2.O=CNCc1ccc2n[nH]c(F)c2c1.
What is the InChIKey of (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide?
The InChIKey is CCVSGTFJFZELMQ-DAULDNKOSA-N. The full InChI is InChI=1S/C9H8FN3O.C7H13N/c10-9-7-3-6(4-11-5-14)1-2-8(7)12-13-9;1-2-6-4-5-7(3-1)8-6/h1-3,5H,4H2,(H,11,14)(H,12,13);6-8H,1-5H2/t;6-,7+.
What are the key properties of (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide?
(1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide has a molecular weight of 304.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-azabicyclo[3.2.1]octane;N-[(3-fluoro-2H-indazol-5-yl)methyl]formamide is sourced from PubChem (CID 163295175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).