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

C18H19FN8O2 — CID 123608770

IUPAC2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CN2CCC1CC2
InChIInChI=1S/C18H19FN8O2/c19-11-5-22-16-14(15(20)25-27(16)7-11)17(28)24-12-6-21-9-23-18(12)29-13-8-26-3-1-10(13)2-4-26/h5-7,9-10,13H,1-4,8H2,(H2,20,25)(H,24,28)
InChIKeyLSAFDHFBSRMKFJ-UHFFFAOYSA-N
MW398.40 g/mol
LogP0.97
Rot. Bonds4

About 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123608770) has the molecular formula C18H19FN8O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123608770
Molecular FormulaC18H19FN8O2
Molecular Weight398.40 g/mol
Exact Mass398.16
IUPAC Name2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CN2CCC1CC2
InChIInChI=1S/C18H19FN8O2/c19-11-5-22-16-14(15(20)25-27(16)7-11)17(28)24-12-6-21-9-23-18(12)29-13-8-26-3-1-10(13)2-4-26/h5-7,9-10,13H,1-4,8H2,(H2,20,25)(H,24,28)
InChIKeyLSAFDHFBSRMKFJ-UHFFFAOYSA-N
XLogP0.97
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287701
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287702
2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287848
2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471491
2-amino-6-fluoro-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471493
2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471494
2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471495
2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471631
2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471632
2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471636
(R)-2-amino-6-fluoro-N-(4-((1-methylpiperidin-3-yl)oxy)pyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473432
2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473433

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123608770) is 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CN2CCC1CC2.
What is the InChIKey of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LSAFDHFBSRMKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN8O2/c19-11-5-22-16-14(15(20)25-27(16)7-11)17(28)24-12-6-21-9-23-18(12)29-13-8-26-3-1-10(13)2-4-26/h5-7,9-10,13H,1-4,8H2,(H2,20,25)(H,24,28).
What are the key properties of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.40 g/mol, XLogP of 0.97, 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-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123608770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).