2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H41FN8O2 — CID 134339736

IUPAC2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CC1CCC(OC2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CN1C
InChIInChI=1S/C21H41FN8O2/c1-28(2)11-14-4-5-15(12-29(14)3)32-17-6-7-24-9-16(17)26-21(31)18-19(23)27-30-10-13(22)8-25-20(18)30/h13-20,24-25,27H,4-12,23H2,1-3H3,(H,26,31)
InChIKeyODMLOIBQINUHRO-UHFFFAOYSA-N
MW456.61 g/mol
LogP-2.14
Rot. Bonds6

About 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134339736) has the molecular formula C21H41FN8O2 and a molecular weight of 456.61 g/mol. Its IUPAC name is 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134339736
Molecular FormulaC21H41FN8O2
Molecular Weight456.61 g/mol
Exact Mass456.33
IUPAC Name2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CC1CCC(OC2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CN1C
InChIInChI=1S/C21H41FN8O2/c1-28(2)11-14-4-5-15(12-29(14)3)32-17-6-7-24-9-16(17)26-21(31)18-19(23)27-30-10-13(22)8-25-20(18)30/h13-20,24-25,27H,4-12,23H2,1-3H3,(H,26,31)
InChIKeyODMLOIBQINUHRO-UHFFFAOYSA-N
XLogP-2.14
TPSA110.16 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-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-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134339736) is 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)CC1CCC(OC2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CN1C.
What is the InChIKey of 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ODMLOIBQINUHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41FN8O2/c1-28(2)11-14-4-5-15(12-29(14)3)32-17-6-7-24-9-16(17)26-21(31)18-19(23)27-30-10-13(22)8-25-20(18)30/h13-20,24-25,27H,4-12,23H2,1-3H3,(H,26,31).
What are the key properties of 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 456.61 g/mol, XLogP of -2.14, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134339736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).