2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine

C20H22N4 — CID 177262946

IUPAC2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NC3CC4C5CCC(C5)C34)c3ccccc3n2n1
InChIInChI=1S/C20H22N4/c1-11-8-18-22-20(14-4-2-3-5-17(14)24(18)23-11)21-16-10-15-12-6-7-13(9-12)19(15)16/h2-5,8,12-13,15-16,19H,6-7,9-10H2,1H3,(H,21,22)
InChIKeyHFIZZMKRVQMTSE-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.04
Rot. Bonds2

About 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine

2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 177262946) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine
PubChem CID177262946
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NC3CC4C5CCC(C5)C34)c3ccccc3n2n1
InChIInChI=1S/C20H22N4/c1-11-8-18-22-20(14-4-2-3-5-17(14)24(18)23-11)21-16-10-15-12-6-7-13(9-12)19(15)16/h2-5,8,12-13,15-16,19H,6-7,9-10H2,1H3,(H,21,22)
InChIKeyHFIZZMKRVQMTSE-UHFFFAOYSA-N
XLogP4.04
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine (CID 177262946) is 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(NC3CC4C5CCC(C5)C34)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is HFIZZMKRVQMTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-11-8-18-22-20(14-4-2-3-5-17(14)24(18)23-11)21-16-10-15-12-6-7-13(9-12)19(15)16/h2-5,8,12-13,15-16,19H,6-7,9-10H2,1H3,(H,21,22).
What are the key properties of 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine?
2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 318.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 177262946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).