2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H27FN8O3 — CID 90199443

IUPAC2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CCC3(COC3)C2)CC1
InChIInChI=1S/C24H27FN8O3/c25-16-9-28-21-19(20(26)30-33(21)11-16)22(34)29-17-10-27-5-1-18(17)31-6-2-15(3-7-31)23(35)32-8-4-24(12-32)13-36-14-24/h1,5,9-11,15H,2-4,6-8,12-14H2,(H2,26,30)(H,29,34)
InChIKeyVIAPHACHHDAYLB-UHFFFAOYSA-N
MW494.53 g/mol
LogP1.56
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199443) has the molecular formula C24H27FN8O3 and a molecular weight of 494.53 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199443
Molecular FormulaC24H27FN8O3
Molecular Weight494.53 g/mol
Exact Mass494.22
IUPAC Name2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CCC3(COC3)C2)CC1
InChIInChI=1S/C24H27FN8O3/c25-16-9-28-21-19(20(26)30-33(21)11-16)22(34)29-17-10-27-5-1-18(17)31-6-2-15(3-7-31)23(35)32-8-4-24(12-32)13-36-14-24/h1,5,9-11,15H,2-4,6-8,12-14H2,(H2,26,30)(H,29,34)
InChIKeyVIAPHACHHDAYLB-UHFFFAOYSA-N
XLogP1.56
TPSA130.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199443) is 2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CCC3(COC3)C2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VIAPHACHHDAYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O3/c25-16-9-28-21-19(20(26)30-33(21)11-16)22(34)29-17-10-27-5-1-18(17)31-6-2-15(3-7-31)23(35)32-8-4-24(12-32)13-36-14-24/h1,5,9-11,15H,2-4,6-8,12-14H2,(H2,26,30)(H,29,34).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 1.56, 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-[4-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).