2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H35FN8O3 — CID 140643751

IUPAC2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC2(CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)OC1=O
InChIInChI=1S/C20H35FN8O3/c1-27-11-20(32-19(27)31)3-6-28(7-4-20)14-2-5-23-9-13(14)25-18(30)15-16(22)26-29-10-12(21)8-24-17(15)29/h12-17,23-24,26H,2-11,22H2,1H3,(H,25,30)
InChIKeyLPHJXLIVQFTBJE-UHFFFAOYSA-N
MW454.55 g/mol
LogP-2.26
Rot. Bonds3

About 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643751) has the molecular formula C20H35FN8O3 and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643751
Molecular FormulaC20H35FN8O3
Molecular Weight454.55 g/mol
Exact Mass454.28
IUPAC Name2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC2(CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)OC1=O
InChIInChI=1S/C20H35FN8O3/c1-27-11-20(32-19(27)31)3-6-28(7-4-20)14-2-5-23-9-13(14)25-18(30)15-16(22)26-29-10-12(21)8-24-17(15)29/h12-17,23-24,26H,2-11,22H2,1H3,(H,25,30)
InChIKeyLPHJXLIVQFTBJE-UHFFFAOYSA-N
XLogP-2.26
TPSA127.23 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 5-2.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[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-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643751) is 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC2(CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)OC1=O.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LPHJXLIVQFTBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35FN8O3/c1-27-11-20(32-19(27)31)3-6-28(7-4-20)14-2-5-23-9-13(14)25-18(30)15-16(22)26-29-10-12(21)8-24-17(15)29/h12-17,23-24,26H,2-11,22H2,1H3,(H,25,30).
What are the key properties of 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 454.55 g/mol, XLogP of -2.26, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).