[6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C24H28N8O2S — CID 170969441

IUPAC[6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(C)c(C(=O)N3CCN(C)CC3)cn2)c1
InChIInChI=1S/C24H28N8O2S/c1-16-11-21(25-14-19(16)24(33)31-9-7-29(2)8-10-31)32-15-18(13-27-32)35-28-22-20(34-4)6-5-17-12-26-30(3)23(17)22/h5-6,11-15,28H,7-10H2,1-4H3
InChIKeyAAAPJRYRTUQDTK-UHFFFAOYSA-N
MW492.61 g/mol
LogP2.98
Rot. Bonds6

About [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 170969441) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID170969441
Molecular FormulaC24H28N8O2S
Molecular Weight492.61 g/mol
Exact Mass492.21
IUPAC Name[6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(C)c(C(=O)N3CCN(C)CC3)cn2)c1
InChIInChI=1S/C24H28N8O2S/c1-16-11-21(25-14-19(16)24(33)31-9-7-29(2)8-10-31)32-15-18(13-27-32)35-28-22-20(34-4)6-5-17-12-26-30(3)23(17)22/h5-6,11-15,28H,7-10H2,1-4H3
InChIKeyAAAPJRYRTUQDTK-UHFFFAOYSA-N
XLogP2.98
TPSA93.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate
CID 170969296
1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol
CID 170968757
N-[1-(4-cyclopropyl-2-pyridinyl)pyrazol-4-yl]sulfanyl-6-ethyl-1-methylindazol-7-amine
CID 170969433
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485
6-[4-(1-hydroxyethyl)pyrazol-1-yl]-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170964825
[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865320
1-[4-(1-hydroxy-3-methylcyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969139
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 102545588
7-methoxy-1-methylindazole-6-carboxylic acid
CID 117109695
N-(6-methoxy-1-methylindazol-7-yl)-3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968701
[3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865298
1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 174207428

Frequently Asked Questions

What is the IUPAC name of [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 170969441) is [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc2cnn(C)c2c1NSc1cnn(-c2cc(C)c(C(=O)N3CCN(C)CC3)cn2)c1.
What is the InChIKey of [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is AAAPJRYRTUQDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-16-11-21(25-14-19(16)24(33)31-9-7-29(2)8-10-31)32-15-18(13-27-32)35-28-22-20(34-4)6-5-17-12-26-30(3)23(17)22/h5-6,11-15,28H,7-10H2,1-4H3.
What are the key properties of [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 492.61 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 170969441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).