4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine

C17H16F3N7O — CID 133446079

IUPAC4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine
SMILESNc1c(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ncnc1-n1cccn1
InChIInChI=1S/C17H16F3N7O/c18-17(19,20)11-2-3-13(22-8-11)28-12-4-7-26(9-12)15-14(21)16(24-10-23-15)27-6-1-5-25-27/h1-3,5-6,8,10,12H,4,7,9,21H2
InChIKeyORHTXZAUKBBBFC-UHFFFAOYSA-N
MW391.36 g/mol
LogP2.32
Rot. Bonds4

About 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine

4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine (PubChem CID 133446079) has the molecular formula C17H16F3N7O and a molecular weight of 391.36 g/mol. Its IUPAC name is 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine
PubChem CID133446079
Molecular FormulaC17H16F3N7O
Molecular Weight391.36 g/mol
Exact Mass391.14
IUPAC Name4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine
SMILESNc1c(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ncnc1-n1cccn1
InChIInChI=1S/C17H16F3N7O/c18-17(19,20)11-2-3-13(22-8-11)28-12-4-7-26(9-12)15-14(21)16(24-10-23-15)27-6-1-5-25-27/h1-3,5-6,8,10,12H,4,7,9,21H2
InChIKeyORHTXZAUKBBBFC-UHFFFAOYSA-N
XLogP2.32
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine (CID 133446079) is 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine is Nc1c(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ncnc1-n1cccn1.
What is the InChIKey of 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine?
The InChIKey is ORHTXZAUKBBBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O/c18-17(19,20)11-2-3-13(22-8-11)28-12-4-7-26(9-12)15-14(21)16(24-10-23-15)27-6-1-5-25-27/h1-3,5-6,8,10,12H,4,7,9,21H2.
What are the key properties of 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine?
4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine has a molecular weight of 391.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 133446079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).