N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C25H26FN5O2 — CID 53186556

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCn1c(=O)c2ccnn2c2ccc(C(=O)NCC3CCN(Cc4ccccc4F)CC3)cc21
InChIInChI=1S/C25H26FN5O2/c1-29-23-14-18(6-7-21(23)31-22(25(29)33)8-11-28-31)24(32)27-15-17-9-12-30(13-10-17)16-19-4-2-3-5-20(19)26/h2-8,11,14,17H,9-10,12-13,15-16H2,1H3,(H,27,32)
InChIKeyLSODQTORCGAKCQ-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.97
Rot. Bonds5

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186556) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186556
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCn1c(=O)c2ccnn2c2ccc(C(=O)NCC3CCN(Cc4ccccc4F)CC3)cc21
InChIInChI=1S/C25H26FN5O2/c1-29-23-14-18(6-7-21(23)31-22(25(29)33)8-11-28-31)24(32)27-15-17-9-12-30(13-10-17)16-19-4-2-3-5-20(19)26/h2-8,11,14,17H,9-10,12-13,15-16H2,1H3,(H,27,32)
InChIKeyLSODQTORCGAKCQ-UHFFFAOYSA-N
XLogP2.97
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186550
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186549
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324731
N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186461
N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186476
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786241
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 20949297
N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91912947
3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104980
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 53055042
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 50815802

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186556) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is Cn1c(=O)c2ccnn2c2ccc(C(=O)NCC3CCN(Cc4ccccc4F)CC3)cc21.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is LSODQTORCGAKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-29-23-14-18(6-7-21(23)31-22(25(29)33)8-11-28-31)24(32)27-15-17-9-12-30(13-10-17)16-19-4-2-3-5-20(19)26/h2-8,11,14,17H,9-10,12-13,15-16H2,1H3,(H,27,32).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).