N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C16H13ClN6 — CID 167967068

IUPACN-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCc3cnc(Cl)cn3)c3ccccc3n2n1
InChIInChI=1S/C16H13ClN6/c1-10-6-15-21-16(20-8-11-7-19-14(17)9-18-11)12-4-2-3-5-13(12)23(15)22-10/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyCVECKBAHJCBJPD-UHFFFAOYSA-N
MW324.78 g/mol
LogP3.25
Rot. Bonds3

About N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 167967068) has the molecular formula C16H13ClN6 and a molecular weight of 324.78 g/mol. Its IUPAC name is N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID167967068
Molecular FormulaC16H13ClN6
Molecular Weight324.78 g/mol
Exact Mass324.09
IUPAC NameN-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCc3cnc(Cl)cn3)c3ccccc3n2n1
InChIInChI=1S/C16H13ClN6/c1-10-6-15-21-16(20-8-11-7-19-14(17)9-18-11)12-4-2-3-5-13(12)23(15)22-10/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyCVECKBAHJCBJPD-UHFFFAOYSA-N
XLogP3.25
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 167967068) is N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(NCc3cnc(Cl)cn3)c3ccccc3n2n1.
What is the InChIKey of N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is CVECKBAHJCBJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6/c1-10-6-15-21-16(20-8-11-7-19-14(17)9-18-11)12-4-2-3-5-13(12)23(15)22-10/h2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 324.78 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 167967068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).