5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide

C27H27FN6O2 — CID 178131705

IUPAC5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide
SMILESCc1nc2ccc(CN3CCC(c4ccc(C(=O)NNc5ccccc5)nc4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C27H27FN6O2/c1-17-26(35)31-25-22(30-17)9-8-20(24(25)28)16-34-13-11-18(12-14-34)19-7-10-23(29-15-19)27(36)33-32-21-5-3-2-4-6-21/h2-10,15,18,32H,11-14,16H2,1H3,(H,31,35)(H,33,36)
InChIKeyVNZMFHKIZGQHIG-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.90
Rot. Bonds6

About 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide

5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide (PubChem CID 178131705) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide
PubChem CID178131705
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC Name5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide
SMILESCc1nc2ccc(CN3CCC(c4ccc(C(=O)NNc5ccccc5)nc4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C27H27FN6O2/c1-17-26(35)31-25-22(30-17)9-8-20(24(25)28)16-34-13-11-18(12-14-34)19-7-10-23(29-15-19)27(36)33-32-21-5-3-2-4-6-21/h2-10,15,18,32H,11-14,16H2,1H3,(H,31,35)(H,33,36)
InChIKeyVNZMFHKIZGQHIG-UHFFFAOYSA-N
XLogP3.90
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110832
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536
N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110805
6-fluoro-5-[(3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide
CID 176996033
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 178131995
6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide
CID 178063348
5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 178131889
5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide
CID 169110661
6-chloro-5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524577
N-cyclopropyl-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169110858
7-[[(3E)-3-[(2,3-difluoro-4-methylphenyl)methylidene]pyrrolidin-1-yl]methyl]-8-fluoro-3-methyl-1H-quinoxalin-2-one;N-methylformamide
CID 178063377

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide?
The IUPAC name of 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide (CID 178131705) is 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide.
What is the SMILES notation for 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide?
The canonical SMILES for 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide is Cc1nc2ccc(CN3CCC(c4ccc(C(=O)NNc5ccccc5)nc4)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide?
The InChIKey is VNZMFHKIZGQHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2/c1-17-26(35)31-25-22(30-17)9-8-20(24(25)28)16-34-13-11-18(12-14-34)19-7-10-23(29-15-19)27(36)33-32-21-5-3-2-4-6-21/h2-10,15,18,32H,11-14,16H2,1H3,(H,31,35)(H,33,36).
What are the key properties of 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide?
5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide has a molecular weight of 486.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-N'-phenylpyridine-2-carbohydrazide is sourced from PubChem (CID 178131705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).