N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide

C23H22F2N6O2 — CID 46927363

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(F)c3)nc2)CC1
InChIInChI=1S/C23H22F2N6O2/c1-15(32)30-6-8-31(9-7-30)18-2-3-21(27-14-18)29-22(33)11-16-10-19(24)23(28-13-16)17-4-5-26-20(25)12-17/h2-5,10,12-14H,6-9,11H2,1H3,(H,27,29,33)
InChIKeyDLTJJEGBGUJJAK-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.67
Rot. Bonds5

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 46927363) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID46927363
Molecular FormulaC23H22F2N6O2
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(F)c3)nc2)CC1
InChIInChI=1S/C23H22F2N6O2/c1-15(32)30-6-8-31(9-7-30)18-2-3-21(27-14-18)29-22(33)11-16-10-19(24)23(28-13-16)17-4-5-26-20(25)12-17/h2-5,10,12-14H,6-9,11H2,1H3,(H,27,29,33)
InChIKeyDLTJJEGBGUJJAK-UHFFFAOYSA-N
XLogP2.67
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

Darovasertib
CID 118873253
Wnt-974
CID 46926973
Las-101057
CID 16071896
BPKDi
CID 46901383
MK-8825
CID 56944164
Gnf6231
CID 46927297
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
2-Ethyl-9-methyl-13-[2-(pyridin-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470731
2-Ethyl-5-fluoro-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470745
2-Ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470752
4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide
CID 142580242
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11387595

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide (CID 46927363) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(F)c3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is DLTJJEGBGUJJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O2/c1-15(32)30-6-8-31(9-7-30)18-2-3-21(27-14-18)29-22(33)11-16-10-19(24)23(28-13-16)17-4-5-26-20(25)12-17/h2-5,10,12-14H,6-9,11H2,1H3,(H,27,29,33).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 452.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 46927363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).