5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20FN7O2 — CID 90205691

IUPAC5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nc2c(C(=O)Nc3cnccc3OC3CN4CCC3CC4)cnn2cc1F
InChIInChI=1S/C19H20FN7O2/c20-13-9-27-18(25-17(13)21)12(7-23-27)19(28)24-14-8-22-4-1-15(14)29-16-10-26-5-2-11(16)3-6-26/h1,4,7-9,11,16H,2-3,5-6,10H2,(H2,21,25)(H,24,28)
InChIKeyFPDRJTMHSSAPLU-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.57
Rot. Bonds4

About 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90205691) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90205691
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nc2c(C(=O)Nc3cnccc3OC3CN4CCC3CC4)cnn2cc1F
InChIInChI=1S/C19H20FN7O2/c20-13-9-27-18(25-17(13)21)12(7-23-27)19(28)24-14-8-22-4-1-15(14)29-16-10-26-5-2-11(16)3-6-26/h1,4,7-9,11,16H,2-3,5-6,10H2,(H2,21,25)(H,24,28)
InChIKeyFPDRJTMHSSAPLU-UHFFFAOYSA-N
XLogP1.57
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90205691) is 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nc2c(C(=O)Nc3cnccc3OC3CN4CCC3CC4)cnn2cc1F.
What is the InChIKey of 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FPDRJTMHSSAPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O2/c20-13-9-27-18(25-17(13)21)12(7-23-27)19(28)24-14-8-22-4-1-15(14)29-16-10-26-5-2-11(16)3-6-26/h1,4,7-9,11,16H,2-3,5-6,10H2,(H2,21,25)(H,24,28).
What are the key properties of 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90205691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).