7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

C22H25N7O — CID 126897624

IUPAC7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCc1cc(N2CCN(c3ccc4c(=O)n(C(C)C)cnc4c3)CC2)n2nccc2n1
InChIInChI=1S/C22H25N7O/c1-15(2)28-14-23-19-13-17(4-5-18(19)22(28)30)26-8-10-27(11-9-26)21-12-16(3)25-20-6-7-24-29(20)21/h4-7,12-15H,8-11H2,1-3H3
InChIKeyGDAMDXOSNCKXAY-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.66
Rot. Bonds3

About 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (PubChem CID 126897624) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
PubChem CID126897624
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCc1cc(N2CCN(c3ccc4c(=O)n(C(C)C)cnc4c3)CC2)n2nccc2n1
InChIInChI=1S/C22H25N7O/c1-15(2)28-14-23-19-13-17(4-5-18(19)22(28)30)26-8-10-27(11-9-26)21-12-16(3)25-20-6-7-24-29(20)21/h4-7,12-15H,8-11H2,1-3H3
InChIKeyGDAMDXOSNCKXAY-UHFFFAOYSA-N
XLogP2.66
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (CID 126897624) is 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is Cc1cc(N2CCN(c3ccc4c(=O)n(C(C)C)cnc4c3)CC2)n2nccc2n1.
What is the InChIKey of 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is GDAMDXOSNCKXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-15(2)28-14-23-19-13-17(4-5-18(19)22(28)30)26-8-10-27(11-9-26)21-12-16(3)25-20-6-7-24-29(20)21/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 403.49 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).