5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one

C23H27N5O2 — CID 164909597

IUPAC5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCOc1ccc(N2CCN(C3CCc4[nH]n(-c5ccccn5)c(=O)c4C3)CC2)cc1
InChIInChI=1S/C23H27N5O2/c1-30-19-8-5-17(6-9-19)26-12-14-27(15-13-26)18-7-10-21-20(16-18)23(29)28(25-21)22-4-2-3-11-24-22/h2-6,8-9,11,18,25H,7,10,12-16H2,1H3
InChIKeyYXRWHTNWYFFLAL-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.25
Rot. Bonds4

About 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one

5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 164909597) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID164909597
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCOc1ccc(N2CCN(C3CCc4[nH]n(-c5ccccn5)c(=O)c4C3)CC2)cc1
InChIInChI=1S/C23H27N5O2/c1-30-19-8-5-17(6-9-19)26-12-14-27(15-13-26)18-7-10-21-20(16-18)23(29)28(25-21)22-4-2-3-11-24-22/h2-6,8-9,11,18,25H,7,10,12-16H2,1H3
InChIKeyYXRWHTNWYFFLAL-UHFFFAOYSA-N
XLogP2.25
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 164909669
6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 156806650
2-pyridin-2-yl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 66022503
2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide
CID 175876876
5-(2,5-dimethylanilino)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 164909699
4-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
CID 175782485
5-[[3-(dimethylamino)phenyl]methyl-methylamino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 168857106
1-(4-methoxyphenyl)-4-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 30674071
2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
CID 46832026
5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51036276
1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride
CID 175654296
3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4599866

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 164909597) is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one is COc1ccc(N2CCN(C3CCc4[nH]n(-c5ccccn5)c(=O)c4C3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is YXRWHTNWYFFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-30-19-8-5-17(6-9-19)26-12-14-27(15-13-26)18-7-10-21-20(16-18)23(29)28(25-21)22-4-2-3-11-24-22/h2-6,8-9,11,18,25H,7,10,12-16H2,1H3.
What are the key properties of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 405.50 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 164909597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).