N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide

C22H27N5O3 — CID 135965958

IUPACN-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESO=C(NCCC1(N2CCOCC2)CCCC1)c1cc2[nH]c(=O)c3ccccc3n2n1
InChIInChI=1S/C22H27N5O3/c28-20-16-5-1-2-6-18(16)27-19(24-20)15-17(25-27)21(29)23-10-9-22(7-3-4-8-22)26-11-13-30-14-12-26/h1-2,5-6,15H,3-4,7-14H2,(H,23,29)(H,24,28)
InChIKeyPIPCUQXGOFMTFB-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide

N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (PubChem CID 135965958) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
PubChem CID135965958
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESO=C(NCCC1(N2CCOCC2)CCCC1)c1cc2[nH]c(=O)c3ccccc3n2n1
InChIInChI=1S/C22H27N5O3/c28-20-16-5-1-2-6-18(16)27-19(24-20)15-17(25-27)21(29)23-10-9-22(7-3-4-8-22)26-11-13-30-14-12-26/h1-2,5-6,15H,3-4,7-14H2,(H,23,29)(H,24,28)
InChIKeyPIPCUQXGOFMTFB-UHFFFAOYSA-N
XLogP1.94
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The IUPAC name of N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (CID 135965958) is N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.
What is the SMILES notation for N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The canonical SMILES for N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is O=C(NCCC1(N2CCOCC2)CCCC1)c1cc2[nH]c(=O)c3ccccc3n2n1.
What is the InChIKey of N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The InChIKey is PIPCUQXGOFMTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c28-20-16-5-1-2-6-18(16)27-19(24-20)15-17(25-27)21(29)23-10-9-22(7-3-4-8-22)26-11-13-30-14-12-26/h1-2,5-6,15H,3-4,7-14H2,(H,23,29)(H,24,28).
What are the key properties of N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-morpholin-4-ylcyclopentyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is sourced from PubChem (CID 135965958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).