N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C29H26N8O3 — CID 118182513

IUPACN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C29H26N8O3/c38-27(35-11-13-36(14-12-35)29(40)20-5-2-1-3-6-20)19-37-18-21-15-23(9-10-25(21)34-37)32-28(39)26-8-4-7-24(33-26)22-16-30-31-17-22/h1-10,15-18H,11-14,19H2,(H,30,31)(H,32,39)
InChIKeyDOIVKTQLGDESRR-UHFFFAOYSA-N
MW534.58 g/mol
LogP3.06
Rot. Bonds6

About N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118182513) has the molecular formula C29H26N8O3 and a molecular weight of 534.58 g/mol. Its IUPAC name is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118182513
Molecular FormulaC29H26N8O3
Molecular Weight534.58 g/mol
Exact Mass534.21
IUPAC NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C29H26N8O3/c38-27(35-11-13-36(14-12-35)29(40)20-5-2-1-3-6-20)19-37-18-21-15-23(9-10-25(21)34-37)32-28(39)26-8-4-7-24(33-26)22-16-30-31-17-22/h1-10,15-18H,11-14,19H2,(H,30,31)(H,32,39)
InChIKeyDOIVKTQLGDESRR-UHFFFAOYSA-N
XLogP3.06
TPSA129.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.58
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(azetidin-3-ylamino)-N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 118182661
N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134422733
tert-butyl 2-[[[6-[[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]carbamoyl]-2-pyridinyl]amino]methyl]azetidine-1-carboxylate
CID 118172871
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961
6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 122650761
N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182657
N-[2-(2-oxo-2-thiomorpholin-4-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172980
N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 134443205
N-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 122637050
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 118172979
formic acid;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 159944234
benzyl 3-[[3-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]phenyl]carbamoyl]benzoate
CID 166841053

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 118182513) is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1cccc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is DOIVKTQLGDESRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O3/c38-27(35-11-13-36(14-12-35)29(40)20-5-2-1-3-6-20)19-37-18-21-15-23(9-10-25(21)34-37)32-28(39)26-8-4-7-24(33-26)22-16-30-31-17-22/h1-10,15-18H,11-14,19H2,(H,30,31)(H,32,39).
What are the key properties of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 534.58 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118182513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).