N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide

C18H21N5O2 — CID 135910419

IUPACN-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1
InChIInChI=1S/C18H21N5O2/c1-22-8-6-12(7-9-22)11-19-18(25)14-10-16-20-17(24)13-4-2-3-5-15(13)23(16)21-14/h2-5,10,12H,6-9,11H2,1H3,(H,19,25)(H,20,24)
InChIKeyNPZPIVCRGSTVGU-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.25
Rot. Bonds3

About N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide

N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (PubChem CID 135910419) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
PubChem CID135910419
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1
InChIInChI=1S/C18H21N5O2/c1-22-8-6-12(7-9-22)11-19-18(25)14-10-16-20-17(24)13-4-2-3-5-15(13)23(16)21-14/h2-5,10,12H,6-9,11H2,1H3,(H,19,25)(H,20,24)
InChIKeyNPZPIVCRGSTVGU-UHFFFAOYSA-N
XLogP1.25
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (CID 135910419) is N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is CN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The InChIKey is NPZPIVCRGSTVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22-8-6-12(7-9-22)11-19-18(25)14-10-16-20-17(24)13-4-2-3-5-15(13)23(16)21-14/h2-5,10,12H,6-9,11H2,1H3,(H,19,25)(H,20,24).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is sourced from PubChem (CID 135910419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).