N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C20H16F2N4 — CID 177262940

IUPACN-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NC3CC3c3ccc(F)c(F)c3)c3ccccc3n2n1
InChIInChI=1S/C20H16F2N4/c1-11-8-19-24-20(13-4-2-3-5-18(13)26(19)25-11)23-17-10-14(17)12-6-7-15(21)16(22)9-12/h2-9,14,17H,10H2,1H3,(H,23,24)
InChIKeyRGGKQNCLJBBOMY-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.44
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 177262940) has the molecular formula C20H16F2N4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID177262940
Molecular FormulaC20H16F2N4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NC3CC3c3ccc(F)c(F)c3)c3ccccc3n2n1
InChIInChI=1S/C20H16F2N4/c1-11-8-19-24-20(13-4-2-3-5-18(13)26(19)25-11)23-17-10-14(17)12-6-7-15(21)16(22)9-12/h2-9,14,17H,10H2,1H3,(H,23,24)
InChIKeyRGGKQNCLJBBOMY-UHFFFAOYSA-N
XLogP4.44
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 177262940) is N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(NC3CC3c3ccc(F)c(F)c3)c3ccccc3n2n1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is RGGKQNCLJBBOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4/c1-11-8-19-24-20(13-4-2-3-5-18(13)26(19)25-11)23-17-10-14(17)12-6-7-15(21)16(22)9-12/h2-9,14,17H,10H2,1H3,(H,23,24).
What are the key properties of N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 350.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 177262940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).