2-amino-N-(4-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H29FN6O2 — CID 129134814

IUPAC2-amino-N-(4-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CNCC(NC(=O)C2C(N)NN3CC(F)CNC23)C1C1CC1
InChIInChI=1S/C16H29FN6O2/c1-25-11-6-19-5-10(12(11)8-2-3-8)21-16(24)13-14(18)22-23-7-9(17)4-20-15(13)23/h8-15,19-20,22H,2-7,18H2,1H3,(H,21,24)
InChIKeyOCNBWGLVDKIDHG-UHFFFAOYSA-N
MW356.45 g/mol
LogP-1.90
Rot. Bonds4

About 2-amino-N-(4-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-(4-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129134814) has the molecular formula C16H29FN6O2 and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-amino-N-(4-cyclopropyl-5-methoxypiperidin-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-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129134814
Molecular FormulaC16H29FN6O2
Molecular Weight356.45 g/mol
Exact Mass356.23
IUPAC Name2-amino-N-(4-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CNCC(NC(=O)C2C(N)NN3CC(F)CNC23)C1C1CC1
InChIInChI=1S/C16H29FN6O2/c1-25-11-6-19-5-10(12(11)8-2-3-8)21-16(24)13-14(18)22-23-7-9(17)4-20-15(13)23/h8-15,19-20,22H,2-7,18H2,1H3,(H,21,24)
InChIKeyOCNBWGLVDKIDHG-UHFFFAOYSA-N
XLogP-1.90
TPSA103.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyclopropyl-5-methoxypiperidin-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-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129134814) is 2-amino-N-(4-cyclopropyl-5-methoxypiperidin-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-cyclopropyl-5-methoxypiperidin-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-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1CNCC(NC(=O)C2C(N)NN3CC(F)CNC23)C1C1CC1.
What is the InChIKey of 2-amino-N-(4-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OCNBWGLVDKIDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN6O2/c1-25-11-6-19-5-10(12(11)8-2-3-8)21-16(24)13-14(18)22-23-7-9(17)4-20-15(13)23/h8-15,19-20,22H,2-7,18H2,1H3,(H,21,24).
What are the key properties of 2-amino-N-(4-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(4-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of -1.90, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyclopropyl-5-methoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129134814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).