[1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C21H24ClN5O2 — CID 24607800

IUPAC[1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nn2c(nc(N3CCCC(C(=O)N4CCOCC4)C3)c3ccccc32)c1Cl
InChIInChI=1S/C21H24ClN5O2/c1-14-18(22)20-23-19(16-6-2-3-7-17(16)27(20)24-14)26-8-4-5-15(13-26)21(28)25-9-11-29-12-10-25/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyVWEOTYLBBDHWMU-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.92
Rot. Bonds2

About [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 24607800) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID24607800
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name[1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nn2c(nc(N3CCCC(C(=O)N4CCOCC4)C3)c3ccccc32)c1Cl
InChIInChI=1S/C21H24ClN5O2/c1-14-18(22)20-23-19(16-6-2-3-7-17(16)27(20)24-14)26-8-4-5-15(13-26)21(28)25-9-11-29-12-10-25/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyVWEOTYLBBDHWMU-UHFFFAOYSA-N
XLogP2.92
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 24607800) is [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone is Cc1nn2c(nc(N3CCCC(C(=O)N4CCOCC4)C3)c3ccccc32)c1Cl.
What is the InChIKey of [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VWEOTYLBBDHWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-14-18(22)20-23-19(16-6-2-3-7-17(16)27(20)24-14)26-8-4-5-15(13-26)21(28)25-9-11-29-12-10-25/h2-3,6-7,15H,4-5,8-13H2,1H3.
What are the key properties of [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 413.91 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24607800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).