2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H30FN7O2 — CID 134339739

IUPAC2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)C=NC2C1C(=O)NC1CNCCC1OC1CCCNC1
InChIInChI=1S/C17H30FN7O2/c18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h6,10-16,20-21,24H,1-5,7-9,19H2,(H,23,26)
InChIKeyVJPUWENPGMFUJE-UHFFFAOYSA-N
MW383.47 g/mol
LogP-1.93
Rot. Bonds4

About 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134339739) has the molecular formula C17H30FN7O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134339739
Molecular FormulaC17H30FN7O2
Molecular Weight383.47 g/mol
Exact Mass383.24
IUPAC Name2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)C=NC2C1C(=O)NC1CNCCC1OC1CCCNC1
InChIInChI=1S/C17H30FN7O2/c18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h6,10-16,20-21,24H,1-5,7-9,19H2,(H,23,26)
InChIKeyVJPUWENPGMFUJE-UHFFFAOYSA-N
XLogP-1.93
TPSA116.04 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 5-1.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134339739) is 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)C=NC2C1C(=O)NC1CNCCC1OC1CCCNC1.
What is the InChIKey of 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VJPUWENPGMFUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN7O2/c18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h6,10-16,20-21,24H,1-5,7-9,19H2,(H,23,26).
What are the key properties of 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of -1.93, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(4-piperidin-3-yloxypiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134339739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).