N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

C24H29FN6O2 — CID 178185082

IUPACN-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC2)ccc1N1CCN(CC2C=c3[nH]c(=O)c(C)nc3=C(F)C2)CC1
InChIInChI=1S/C24H29FN6O2/c1-14-21(6-5-19(26-14)24(33)28-17-3-4-17)31-9-7-30(8-10-31)13-16-11-18(25)22-20(12-16)29-23(32)15(2)27-22/h5-6,12,16-17H,3-4,7-11,13H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyBFKXMYVUFPJBRG-UHFFFAOYSA-N
MW452.53 g/mol
LogP0.37
Rot. Bonds5

About N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 178185082) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
PubChem CID178185082
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC NameN-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC2)ccc1N1CCN(CC2C=c3[nH]c(=O)c(C)nc3=C(F)C2)CC1
InChIInChI=1S/C24H29FN6O2/c1-14-21(6-5-19(26-14)24(33)28-17-3-4-17)31-9-7-30(8-10-31)13-16-11-18(25)22-20(12-16)29-23(32)15(2)27-22/h5-6,12,16-17H,3-4,7-11,13H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyBFKXMYVUFPJBRG-UHFFFAOYSA-N
XLogP0.37
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (CID 178185082) is N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NC2CC2)ccc1N1CCN(CC2C=c3[nH]c(=O)c(C)nc3=C(F)C2)CC1.
What is the InChIKey of N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is BFKXMYVUFPJBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-14-21(6-5-19(26-14)24(33)28-17-3-4-17)31-9-7-30(8-10-31)13-16-11-18(25)22-20(12-16)29-23(32)15(2)27-22/h5-6,12,16-17H,3-4,7-11,13H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-[(8-fluoro-2-methyl-3-oxo-6,7-dihydro-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 178185082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).