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

C19H20F3N7O2 — CID 86302756

IUPAC2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C19H20F3N7O2/c1-28-7-3-11(4-8-28)31-13-2-6-24-10-12(13)25-18(30)15-16(23)27-29-9-5-14(19(20,21)22)26-17(15)29/h2,5-6,9-11H,3-4,7-8H2,1H3,(H2,23,27)(H,25,30)
InChIKeyKTFOABBPGBYLBE-UHFFFAOYSA-N
MW435.41 g/mol
LogP2.45
Rot. Bonds4

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

2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86302756) has the molecular formula C19H20F3N7O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86302756
Molecular FormulaC19H20F3N7O2
Molecular Weight435.41 g/mol
Exact Mass435.16
IUPAC Name2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C19H20F3N7O2/c1-28-7-3-11(4-8-28)31-13-2-6-24-10-12(13)25-18(30)15-16(23)27-29-9-5-14(19(20,21)22)26-17(15)29/h2,5-6,9-11H,3-4,7-8H2,1H3,(H2,23,27)(H,25,30)
InChIKeyKTFOABBPGBYLBE-UHFFFAOYSA-N
XLogP2.45
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86302756) is 2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.
What is the InChIKey of 2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KTFOABBPGBYLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O2/c1-28-7-3-11(4-8-28)31-13-2-6-24-10-12(13)25-18(30)15-16(23)27-29-9-5-14(19(20,21)22)26-17(15)29/h2,5-6,9-11H,3-4,7-8H2,1H3,(H2,23,27)(H,25,30).
What are the key properties of 2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86302756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).