2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17FN8O2 — CID 85471636

IUPAC2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CC2(CCN2)C1
InChIInChI=1S/C17H17FN8O2/c18-9-5-21-14-12(13(19)25-26(14)7-9)15(27)24-11-6-20-8-22-16(11)28-10-3-17(4-10)1-2-23-17/h5-8,10,23H,1-4H2,(H2,19,25)(H,24,27)
InChIKeyRFHIXQSBVDTLOS-UHFFFAOYSA-N
MW384.38 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85471636) has the molecular formula C17H17FN8O2 and a molecular weight of 384.38 g/mol. Its IUPAC name is 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471636
Molecular FormulaC17H17FN8O2
Molecular Weight384.38 g/mol
Exact Mass384.15
IUPAC Name2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CC2(CCN2)C1
InChIInChI=1S/C17H17FN8O2/c18-9-5-21-14-12(13(19)25-26(14)7-9)15(27)24-11-6-20-8-22-16(11)28-10-3-17(4-10)1-2-23-17/h5-8,10,23H,1-4H2,(H2,19,25)(H,24,27)
InChIKeyRFHIXQSBVDTLOS-UHFFFAOYSA-N
XLogP0.77
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471632
(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
2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473434
2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473435
2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473436
2-amino-6-fluoro-N-[4-(1-methylpiperidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90410996
5-amino-6-fluoro-N-[4-(1-methylpyrrolidin-3-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90423513

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85471636) is 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CC2(CCN2)C1.
What is the InChIKey of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RFHIXQSBVDTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN8O2/c18-9-5-21-14-12(13(19)25-26(14)7-9)15(27)24-11-6-20-8-22-16(11)28-10-3-17(4-10)1-2-23-17/h5-8,10,23H,1-4H2,(H2,19,25)(H,24,27).
What are the key properties of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85471636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).