2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone

C14H16N4O — CID 166081458

IUPAC2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CC3CC2CN3)c2ccccc21
InChIInChI=1S/C14H16N4O/c1-17-12-5-3-2-4-11(12)13(16-17)14(19)18-8-9-6-10(18)7-15-9/h2-5,9-10,15H,6-8H2,1H3
InChIKeyWSDDLFIVQSCMDE-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.76
Rot. Bonds1

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

2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone (PubChem CID 166081458) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone
PubChem CID166081458
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CC3CC2CN3)c2ccccc21
InChIInChI=1S/C14H16N4O/c1-17-12-5-3-2-4-11(12)13(16-17)14(19)18-8-9-6-10(18)7-15-9/h2-5,9-10,15H,6-8H2,1H3
InChIKeyWSDDLFIVQSCMDE-UHFFFAOYSA-N
XLogP0.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride
CID 162324070
(2,6-dimethylpiperazin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103120779
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
N-[2-(1-methylindazole-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156601660
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120809
(2S,4S)-4-amino-1-(1-methylindazole-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713767
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365

Frequently Asked Questions

What is the IUPAC name of 2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone?
The IUPAC name of 2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone (CID 166081458) is 2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for 2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone?
The canonical SMILES for 2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)N2CC3CC2CN3)c2ccccc21.
What is the InChIKey of 2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone?
The InChIKey is WSDDLFIVQSCMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17-12-5-3-2-4-11(12)13(16-17)14(19)18-8-9-6-10(18)7-15-9/h2-5,9-10,15H,6-8H2,1H3.
What are the key properties of 2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone?
2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 166081458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).