1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone

C26H29N7O2 — CID 158932992

IUPAC1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone
SMILESCc1nn(C)cc1-c1cccc(C(=O)Cc2ccc3nn(CC(=O)N4CCN(C)CC4)cc3c2)n1
InChIInChI=1S/C26H29N7O2/c1-18-21(16-31(3)28-18)23-5-4-6-24(27-23)25(34)14-19-7-8-22-20(13-19)15-33(29-22)17-26(35)32-11-9-30(2)10-12-32/h4-8,13,15-16H,9-12,14,17H2,1-3H3
InChIKeyJJHLKWDYIIHQFL-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.34
Rot. Bonds6

About 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone

1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone (PubChem CID 158932992) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone
PubChem CID158932992
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone
SMILESCc1nn(C)cc1-c1cccc(C(=O)Cc2ccc3nn(CC(=O)N4CCN(C)CC4)cc3c2)n1
InChIInChI=1S/C26H29N7O2/c1-18-21(16-31(3)28-18)23-5-4-6-24(27-23)25(34)14-19-7-8-22-20(13-19)15-33(29-22)17-26(35)32-11-9-30(2)10-12-32/h4-8,13,15-16H,9-12,14,17H2,1-3H3
InChIKeyJJHLKWDYIIHQFL-UHFFFAOYSA-N
XLogP2.34
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 159456720
2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 148748797
2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147912054
2-[2-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157418877
2-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 161200591
6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 118173086
N-[2-[2-[2-(cyclohexa-1,5-diene-1-carbonylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide
CID 123659359
tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate
CID 157176087
2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 118182494
N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 134443205
tert-butyl 2-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]acetate
CID 157401907
2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid
CID 160602938

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone?
The IUPAC name of 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone (CID 158932992) is 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone.
What is the SMILES notation for 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone?
The canonical SMILES for 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone is Cc1nn(C)cc1-c1cccc(C(=O)Cc2ccc3nn(CC(=O)N4CCN(C)CC4)cc3c2)n1.
What is the InChIKey of 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone?
The InChIKey is JJHLKWDYIIHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-18-21(16-31(3)28-18)23-5-4-6-24(27-23)25(34)14-19-7-8-22-20(13-19)15-33(29-22)17-26(35)32-11-9-30(2)10-12-32/h4-8,13,15-16H,9-12,14,17H2,1-3H3.
What are the key properties of 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone?
1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone has a molecular weight of 471.57 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone is sourced from PubChem (CID 158932992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).