2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18F3N7O2 — CID 86304463

IUPAC2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCNCC1
InChIInChI=1S/C18H18F3N7O2/c19-18(20,21)13-4-8-28-16(26-13)14(15(22)27-28)17(29)25-11-9-24-7-3-12(11)30-10-1-5-23-6-2-10/h3-4,7-10,23H,1-2,5-6H2,(H2,22,27)(H,25,29)
InChIKeyVWEGTZZDCIOYOA-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.11
Rot. Bonds4

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

2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86304463) has the molecular formula C18H18F3N7O2 and a molecular weight of 421.38 g/mol. Its IUPAC name is 2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86304463
Molecular FormulaC18H18F3N7O2
Molecular Weight421.38 g/mol
Exact Mass421.15
IUPAC Name2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCNCC1
InChIInChI=1S/C18H18F3N7O2/c19-18(20,21)13-4-8-28-16(26-13)14(15(22)27-28)17(29)25-11-9-24-7-3-12(11)30-10-1-5-23-6-2-10/h3-4,7-10,23H,1-2,5-6H2,(H2,22,27)(H,25,29)
InChIKeyVWEGTZZDCIOYOA-UHFFFAOYSA-N
XLogP2.11
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86304463) is 2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCNCC1.
What is the InChIKey of 2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VWEGTZZDCIOYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7O2/c19-18(20,21)13-4-8-28-16(26-13)14(15(22)27-28)17(29)25-11-9-24-7-3-12(11)30-10-1-5-23-6-2-10/h3-4,7-10,23H,1-2,5-6H2,(H2,22,27)(H,25,29).
What are the key properties of 2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86304463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).