N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide

C22H27FN6O3 — CID 110085011

IUPACN-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2cn(C)nc2C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H27FN6O3/c1-15(30)24-11-20(31)29-13-16-12-26(2)25-21(16)19(14-29)22(32)28-9-7-27(8-10-28)18-5-3-17(23)4-6-18/h3-6,12,19H,7-11,13-14H2,1-2H3,(H,24,30)
InChIKeyULTVVKHKPGJZNJ-UHFFFAOYSA-N
MW442.50 g/mol
LogP0.47
Rot. Bonds4

About N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide

N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide (PubChem CID 110085011) has the molecular formula C22H27FN6O3 and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide
PubChem CID110085011
Molecular FormulaC22H27FN6O3
Molecular Weight442.50 g/mol
Exact Mass442.21
IUPAC NameN-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2cn(C)nc2C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H27FN6O3/c1-15(30)24-11-20(31)29-13-16-12-26(2)25-21(16)19(14-29)22(32)28-9-7-27(8-10-28)18-5-3-17(23)4-6-18/h3-6,12,19H,7-11,13-14H2,1-2H3,(H,24,30)
InChIKeyULTVVKHKPGJZNJ-UHFFFAOYSA-N
XLogP0.47
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-[(7R)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 92621187
(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 129360922
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248188
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
(7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806143
N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514164
3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636807
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 18282259

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide (CID 110085011) is N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1Cc2cn(C)nc2C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The InChIKey is ULTVVKHKPGJZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O3/c1-15(30)24-11-20(31)29-13-16-12-26(2)25-21(16)19(14-29)22(32)28-9-7-27(8-10-28)18-5-3-17(23)4-6-18/h3-6,12,19H,7-11,13-14H2,1-2H3,(H,24,30).
What are the key properties of N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide?
N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 442.50 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110085011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).