N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24FN5O2 — CID 59333281

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCC(CNC(=O)c2c[nH]n3c(=O)cc(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C21H24FN5O2/c1-2-26-9-7-14(8-10-26)12-23-21(29)17-13-24-27-19(28)11-18(25-20(17)27)15-3-5-16(22)6-4-15/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H,23,29)
InChIKeyQNXPDJMECXBRRM-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.29
Rot. Bonds5

About N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 59333281) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID59333281
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCC(CNC(=O)c2c[nH]n3c(=O)cc(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C21H24FN5O2/c1-2-26-9-7-14(8-10-26)12-23-21(29)17-13-24-27-19(28)11-18(25-20(17)27)15-3-5-16(22)6-4-15/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H,23,29)
InChIKeyQNXPDJMECXBRRM-UHFFFAOYSA-N
XLogP2.29
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 59333281) is N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CCC(CNC(=O)c2c[nH]n3c(=O)cc(-c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QNXPDJMECXBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-2-26-9-7-14(8-10-26)12-23-21(29)17-13-24-27-19(28)11-18(25-20(17)27)15-3-5-16(22)6-4-15/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H,23,29).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 59333281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).