N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H19F5N6O — CID 127053104

IUPACN-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)CCOc1ncc(Nc2cc(C(F)(F)F)nc3cc(-c4ccc(F)cc4)nn23)cc1F
InChIInChI=1S/C22H19F5N6O/c1-32(2)7-8-34-21-16(24)9-15(12-28-21)29-20-11-18(22(25,26)27)30-19-10-17(31-33(19)20)13-3-5-14(23)6-4-13/h3-6,9-12,29H,7-8H2,1-2H3
InChIKeyFOSMNKSFDXGQBN-UHFFFAOYSA-N
MW478.43 g/mol
LogP4.77
Rot. Bonds7

About N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 127053104) has the molecular formula C22H19F5N6O and a molecular weight of 478.43 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID127053104
Molecular FormulaC22H19F5N6O
Molecular Weight478.43 g/mol
Exact Mass478.15
IUPAC NameN-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)CCOc1ncc(Nc2cc(C(F)(F)F)nc3cc(-c4ccc(F)cc4)nn23)cc1F
InChIInChI=1S/C22H19F5N6O/c1-32(2)7-8-34-21-16(24)9-15(12-28-21)29-20-11-18(22(25,26)27)30-19-10-17(31-33(19)20)13-3-5-14(23)6-4-13/h3-6,9-12,29H,7-8H2,1-2H3
InChIKeyFOSMNKSFDXGQBN-UHFFFAOYSA-N
XLogP4.77
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 127053104) is N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CN(C)CCOc1ncc(Nc2cc(C(F)(F)F)nc3cc(-c4ccc(F)cc4)nn23)cc1F.
What is the InChIKey of N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FOSMNKSFDXGQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N6O/c1-32(2)7-8-34-21-16(24)9-15(12-28-21)29-20-11-18(22(25,26)27)30-19-10-17(31-33(19)20)13-3-5-14(23)6-4-13/h3-6,9-12,29H,7-8H2,1-2H3.
What are the key properties of N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 478.43 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 127053104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).