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

C26H23FN6O3 — CID 118172715

IUPACN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1cccc(F)n1
InChIInChI=1S/C26H23FN6O3/c27-23-8-4-7-22(29-23)25(35)28-20-9-10-21-19(15-20)16-33(30-21)17-24(34)31-11-13-32(14-12-31)26(36)18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,28,35)
InChIKeyKSKKBUZDFUNHHA-UHFFFAOYSA-N
MW486.51 g/mol
LogP2.81
Rot. Bonds5

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

N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 118172715) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide
PubChem CID118172715
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1cccc(F)n1
InChIInChI=1S/C26H23FN6O3/c27-23-8-4-7-22(29-23)25(35)28-20-9-10-21-19(15-20)16-33(30-21)17-24(34)31-11-13-32(14-12-31)26(36)18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,28,35)
InChIKeyKSKKBUZDFUNHHA-UHFFFAOYSA-N
XLogP2.81
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

LY-517717
CID 9939865
N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
N-(4-((3-(prop-2-enoylamino)benzoyl)amino)phenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 131704492
(R)-N-(3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl)-3,3'-Difluoro-(1,1'-Biphenyl)-4-Carboxamide
CID 72706059
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531981
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531982
indole-based 6-membered lactam, (R)-4a
CID 15604844
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
3,3'-Difluoro-N-[(2s)-3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl]biphenyl-4-Carboxamide
CID 71677776
4-[2,5-Bis(Fluoranyl)phenyl]-2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]benzamide
CID 74331697
4-[4-[2,4-Bis(Fluoranyl)phenyl]piperazin-1-Yl]-2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]benzamide
CID 76936779
(R)-N-(3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl)-4-(4-(3,4-Difluorophenyl)piperazin-1-Yl)-2-Fluorobenzamide
CID 76936801

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide (CID 118172715) is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1cccc(F)n1.
What is the InChIKey of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide?
The InChIKey is KSKKBUZDFUNHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c27-23-8-4-7-22(29-23)25(35)28-20-9-10-21-19(15-20)16-33(30-21)17-24(34)31-11-13-32(14-12-31)26(36)18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,28,35).
What are the key properties of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide?
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-fluoropyridine-2-carboxamide is sourced from PubChem (CID 118172715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).