2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

C21H25N5O3 — CID 135910401

IUPAC2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C21H25N5O3/c27-20-16-5-1-2-6-18(16)26-19(22-20)12-17(23-26)21(28)25-7-3-4-15(14-25)13-24-8-10-29-11-9-24/h1-2,5-6,12,15H,3-4,7-11,13-14H2,(H,22,27)
InChIKeyCDNQNODATVRJBG-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.36
Rot. Bonds3

About 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135910401) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135910401
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C21H25N5O3/c27-20-16-5-1-2-6-18(16)26-19(22-20)12-17(23-26)21(28)25-7-3-4-15(14-25)13-24-8-10-29-11-9-24/h1-2,5-6,12,15H,3-4,7-11,13-14H2,(H,22,27)
InChIKeyCDNQNODATVRJBG-UHFFFAOYSA-N
XLogP1.36
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135908481
N-((1-methylpiperidin-4-yl)methyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910419
N-((1-methylpyrrolidin-3-yl)methyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910421
2-(4-(cyclopropylmethyl)piperazine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135910423
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135910433
2-(1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135910442
N-(2-(dimethylamino)ethyl)-N-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910455
N-(3-morpholinopropyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910457
N-(2-morpholinoethyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910459
2-(3-(4-methylpiperazine-1-carbonyl)phenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135965881
N-(2-(1-morpholinocyclopentyl)ethyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135965958
2-(4-methylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135965961

Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135910401) is 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is O=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is CDNQNODATVRJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-20-16-5-1-2-6-18(16)26-19(22-20)12-17(23-26)21(28)25-7-3-4-15(14-25)13-24-8-10-29-11-9-24/h1-2,5-6,12,15H,3-4,7-11,13-14H2,(H,22,27).
What are the key properties of 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 395.46 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135910401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).