1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

C20H22N6O — CID 126893349

IUPAC1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H22N6O/c27-20(19-16-5-1-2-6-17(16)22-23-19)26-13-15(14-26)24-9-11-25(12-10-24)18-7-3-4-8-21-18/h1-8,15H,9-14H2,(H,22,23)
InChIKeyXQKSHGKNGPCEJD-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.60
Rot. Bonds3

About 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 126893349) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID126893349
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H22N6O/c27-20(19-16-5-1-2-6-17(16)22-23-19)26-13-15(14-26)24-9-11-25(12-10-24)18-7-3-4-8-21-18/h1-8,15H,9-14H2,(H,22,23)
InChIKeyXQKSHGKNGPCEJD-UHFFFAOYSA-N
XLogP1.60
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one
CID 126893294
3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 42291079
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126893336
(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 90146309
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110203400
7-(1H-indazole-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094890
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (CID 126893349) is 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is XQKSHGKNGPCEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(19-16-5-1-2-6-17(16)22-23-19)26-13-15(14-26)24-9-11-25(12-10-24)18-7-3-4-8-21-18/h1-8,15H,9-14H2,(H,22,23).
What are the key properties of 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 362.44 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 126893349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).