2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24F2N8O3 — CID 90200286

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CC3(COC3)C2)CC1
InChIInChI=1S/C23H24F2N8O3/c24-14-5-28-20-17(19(26)30-33(20)8-14)21(34)29-16-7-27-6-15(25)18(16)31-3-1-13(2-4-31)22(35)32-9-23(10-32)11-36-12-23/h5-8,13H,1-4,9-12H2,(H2,26,30)(H,29,34)
InChIKeyRTRVCQIUUAKOMN-UHFFFAOYSA-N
MW498.49 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200286) has the molecular formula C23H24F2N8O3 and a molecular weight of 498.49 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90200286
Molecular FormulaC23H24F2N8O3
Molecular Weight498.49 g/mol
Exact Mass498.19
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CC3(COC3)C2)CC1
InChIInChI=1S/C23H24F2N8O3/c24-14-5-28-20-17(19(26)30-33(20)8-14)21(34)29-16-7-27-6-15(25)18(16)31-3-1-13(2-4-31)22(35)32-9-23(10-32)11-36-12-23/h5-8,13H,1-4,9-12H2,(H2,26,30)(H,29,34)
InChIKeyRTRVCQIUUAKOMN-UHFFFAOYSA-N
XLogP1.31
TPSA130.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200286) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CC3(COC3)C2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RTRVCQIUUAKOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O3/c24-14-5-28-20-17(19(26)30-33(20)8-14)21(34)29-16-7-27-6-15(25)18(16)31-3-1-13(2-4-31)22(35)32-9-23(10-32)11-36-12-23/h5-8,13H,1-4,9-12H2,(H2,26,30)(H,29,34).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 498.49 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).