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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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).