1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone

C14H16N4O — CID 69289285

IUPAC1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCN1CC2CC1CN2C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H16N4O/c1-17-7-10-6-9(17)8-18(10)14(19)13-11-4-2-3-5-12(11)15-16-13/h2-5,9-10H,6-8H2,1H3,(H,15,16)
InChIKeyGKRIOEFBZSATAW-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.09
Rot. Bonds1

About 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone

1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 69289285) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID69289285
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCN1CC2CC1CN2C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H16N4O/c1-17-7-10-6-9(17)8-18(10)14(19)13-11-4-2-3-5-12(11)15-16-13/h2-5,9-10H,6-8H2,1H3,(H,15,16)
InChIKeyGKRIOEFBZSATAW-UHFFFAOYSA-N
XLogP1.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 59749066
2,5-diazabicyclo[2.2.1]heptan-2-yl(1H-indazol-3-yl)methanone
CID 69289370
[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 66932254
[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
CID 154544825
[6-(difluoromethoxy)-1H-indazol-3-yl]-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;formic acid
CID 69489401
2,5-diazabicyclo[2.2.2]octan-2-yl(1H-indazol-3-yl)methanone
CID 11161171
1H-indazol-3-yl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 11681223
1-[(4-fluorophenyl)methyl]-3-[3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-1H-indazol-5-yl]urea
CID 59749039
formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
CID 69489387
formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
CID 69489262
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151942

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone (CID 69289285) is 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone is CN1CC2CC1CN2C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is GKRIOEFBZSATAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17-7-10-6-9(17)8-18(10)14(19)13-11-4-2-3-5-12(11)15-16-13/h2-5,9-10H,6-8H2,1H3,(H,15,16).
What are the key properties of 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 69289285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).