5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C20H18F3N7O — CID 68673830

IUPAC5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNCCCOc1ccc(-c2ccn3ncc(-c4cnc(N)c(C(F)(F)F)c4)c3n2)cn1
InChIInChI=1S/C20H18F3N7O/c21-20(22,23)15-8-13(10-27-18(15)25)14-11-28-30-6-4-16(29-19(14)30)12-2-3-17(26-9-12)31-7-1-5-24/h2-4,6,8-11H,1,5,7,24H2,(H2,25,27)
InChIKeyOZSPTTRTRYCRLK-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.18
Rot. Bonds6

About 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 68673830) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID68673830
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNCCCOc1ccc(-c2ccn3ncc(-c4cnc(N)c(C(F)(F)F)c4)c3n2)cn1
InChIInChI=1S/C20H18F3N7O/c21-20(22,23)15-8-13(10-27-18(15)25)14-11-28-30-6-4-16(29-19(14)30)12-2-3-17(26-9-12)31-7-1-5-24/h2-4,6,8-11H,1,5,7,24H2,(H2,25,27)
InChIKeyOZSPTTRTRYCRLK-UHFFFAOYSA-N
XLogP3.18
TPSA117.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 68673830) is 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine is NCCCOc1ccc(-c2ccn3ncc(-c4cnc(N)c(C(F)(F)F)c4)c3n2)cn1.
What is the InChIKey of 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OZSPTTRTRYCRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O/c21-20(22,23)15-8-13(10-27-18(15)25)14-11-28-30-6-4-16(29-19(14)30)12-2-3-17(26-9-12)31-7-1-5-24/h2-4,6,8-11H,1,5,7,24H2,(H2,25,27).
What are the key properties of 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 429.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-(3-aminopropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 68673830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).