8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C21H17F3N6 — CID 56848870

IUPAC8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3c(C4CC4)cccc23)n[nH]1
InChIInChI=1S/C21H17F3N6/c1-11-9-17(30-29-11)26-19-15-4-2-3-14(12-5-6-12)18(15)27-20(28-19)21(23,24)16-8-7-13(22)10-25-16/h2-4,7-10,12H,5-6H2,1H3,(H2,26,27,28,29,30)
InChIKeyGEADPOFVBCFLNQ-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.96
Rot. Bonds5

About 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 56848870) has the molecular formula C21H17F3N6 and a molecular weight of 410.40 g/mol. Its IUPAC name is 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID56848870
Molecular FormulaC21H17F3N6
Molecular Weight410.40 g/mol
Exact Mass410.15
IUPAC Name8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3c(C4CC4)cccc23)n[nH]1
InChIInChI=1S/C21H17F3N6/c1-11-9-17(30-29-11)26-19-15-4-2-3-14(12-5-6-12)18(15)27-20(28-19)21(23,24)16-8-7-13(22)10-25-16/h2-4,7-10,12H,5-6H2,1H3,(H2,26,27,28,29,30)
InChIKeyGEADPOFVBCFLNQ-UHFFFAOYSA-N
XLogP4.96
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 56848870) is 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3c(C4CC4)cccc23)n[nH]1.
What is the InChIKey of 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is GEADPOFVBCFLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6/c1-11-9-17(30-29-11)26-19-15-4-2-3-14(12-5-6-12)18(15)27-20(28-19)21(23,24)16-8-7-13(22)10-25-16/h2-4,7-10,12H,5-6H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 410.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 56848870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).