[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone

C24H23N5OS — CID 58483568

IUPAC[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)c4cccnc4)CC3)ccc12
InChIInChI=1S/C24H23N5OS/c1-31-23-21-10-9-20(16-22(21)29(26-23)19-7-3-2-4-8-19)27-12-14-28(15-13-27)24(30)18-6-5-11-25-17-18/h2-11,16-17H,12-15H2,1H3
InChIKeyAGMYOTPZBIEZNV-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.10
Rot. Bonds4

About [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 58483568) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID58483568
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)c4cccnc4)CC3)ccc12
InChIInChI=1S/C24H23N5OS/c1-31-23-21-10-9-20(16-22(21)29(26-23)19-7-3-2-4-8-19)27-12-14-28(15-13-27)24(30)18-6-5-11-25-17-18/h2-11,16-17H,12-15H2,1H3
InChIKeyAGMYOTPZBIEZNV-UHFFFAOYSA-N
XLogP4.10
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
6-(1,4-diazepan-1-yl)-3-methylsulfanyl-1-phenylindazole
CID 58483573
N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 173143971
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
[3-methylsulfanyl-1-(5-phenylpyrimidin-2-yl)indazol-6-yl]-piperazin-1-ylmethanone
CID 118662756
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1H-quinolin-2-one
CID 13317106
2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 38453759
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 58483568) is [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone is CSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)c4cccnc4)CC3)ccc12.
What is the InChIKey of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is AGMYOTPZBIEZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-31-23-21-10-9-20(16-22(21)29(26-23)19-7-3-2-4-8-19)27-12-14-28(15-13-27)24(30)18-6-5-11-25-17-18/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 429.55 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 58483568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).