2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19F3N8O2 — CID 85471631

IUPAC2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(Oc2ncncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C18H19F3N8O2/c1-28-5-2-10(3-6-28)31-17-11(8-23-9-24-17)25-16(30)13-14(22)27-29-7-4-12(18(19,20)21)26-15(13)29/h4,7-10H,2-3,5-6H2,1H3,(H2,22,27)(H,25,30)
InChIKeyDGBJOOVJJVGHSW-UHFFFAOYSA-N
MW436.40 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85471631) has the molecular formula C18H19F3N8O2 and a molecular weight of 436.40 g/mol. Its IUPAC name is 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471631
Molecular FormulaC18H19F3N8O2
Molecular Weight436.40 g/mol
Exact Mass436.16
IUPAC Name2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(Oc2ncncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C18H19F3N8O2/c1-28-5-2-10(3-6-28)31-17-11(8-23-9-24-17)25-16(30)13-14(22)27-29-7-4-12(18(19,20)21)26-15(13)29/h4,7-10H,2-3,5-6H2,1H3,(H2,22,27)(H,25,30)
InChIKeyDGBJOOVJJVGHSW-UHFFFAOYSA-N
XLogP1.85
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85471631) is 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(Oc2ncncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.
What is the InChIKey of 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DGBJOOVJJVGHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N8O2/c1-28-5-2-10(3-6-28)31-17-11(8-23-9-24-17)25-16(30)13-14(22)27-29-7-4-12(18(19,20)21)26-15(13)29/h4,7-10H,2-3,5-6H2,1H3,(H2,22,27)(H,25,30).
What are the key properties of 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85471631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).