5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide

C23H24ClFN6O2 — CID 169110661

IUPAC5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide
SMILESCc1nc2c(Cl)cc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C23H24ClFN6O2/c1-13-22(32)29-21-19(25)14(10-17(24)20(21)27-13)12-30-6-8-31(9-7-30)16-4-5-18(26-11-16)23(33)28-15-2-3-15/h4-5,10-11,15H,2-3,6-9,12H2,1H3,(H,28,33)(H,29,32)
InChIKeyHTDNNNGTYFTMON-UHFFFAOYSA-N
MW470.94 g/mol
LogP2.63
Rot. Bonds5

About 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide

5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 169110661) has the molecular formula C23H24ClFN6O2 and a molecular weight of 470.94 g/mol. Its IUPAC name is 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide
PubChem CID169110661
Molecular FormulaC23H24ClFN6O2
Molecular Weight470.94 g/mol
Exact Mass470.16
IUPAC Name5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide
SMILESCc1nc2c(Cl)cc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C23H24ClFN6O2/c1-13-22(32)29-21-19(25)14(10-17(24)20(21)27-13)12-30-6-8-31(9-7-30)16-4-5-18(26-11-16)23(33)28-15-2-3-15/h4-5,10-11,15H,2-3,6-9,12H2,1H3,(H,28,33)(H,29,32)
InChIKeyHTDNNNGTYFTMON-UHFFFAOYSA-N
XLogP2.63
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
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
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
5-[4-[(6-fluoro-4-oxo-5H-furo[2,3-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560083
N-cyclopropyl-5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166021917
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981056
5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 178131889
N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169265983
N-cyclopropyl-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169110858
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide (CID 169110661) is 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide is Cc1nc2c(Cl)cc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is HTDNNNGTYFTMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6O2/c1-13-22(32)29-21-19(25)14(10-17(24)20(21)27-13)12-30-6-8-31(9-7-30)16-4-5-18(26-11-16)23(33)28-15-2-3-15/h4-5,10-11,15H,2-3,6-9,12H2,1H3,(H,28,33)(H,29,32).
What are the key properties of 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide?
5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 470.94 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 169110661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).