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

C14H21FN6O2 — CID 90212064

IUPAC2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccncc1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C14H21FN6O2/c1-2-23-10-3-4-17-6-9(10)19-14(22)11-12(16)20-21-7-8(15)5-18-13(11)21/h3-4,6,8,11-13,18,20H,2,5,7,16H2,1H3,(H,19,22)
InChIKeyXHPFYQHLOGFWDA-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.59
Rot. Bonds4

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

2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90212064) has the molecular formula C14H21FN6O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90212064
Molecular FormulaC14H21FN6O2
Molecular Weight324.36 g/mol
Exact Mass324.17
IUPAC Name2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccncc1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C14H21FN6O2/c1-2-23-10-3-4-17-6-9(10)19-14(22)11-12(16)20-21-7-8(15)5-18-13(11)21/h3-4,6,8,11-13,18,20H,2,5,7,16H2,1H3,(H,19,22)
InChIKeyXHPFYQHLOGFWDA-UHFFFAOYSA-N
XLogP-0.59
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethoxy-3-pyridinyl)-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-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90212064) is 2-amino-N-(4-ethoxy-3-pyridinyl)-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-ethoxy-3-pyridinyl)-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-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccncc1NC(=O)C1C(N)NN2CC(F)CNC12.
What is the InChIKey of 2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XHPFYQHLOGFWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN6O2/c1-2-23-10-3-4-17-6-9(10)19-14(22)11-12(16)20-21-7-8(15)5-18-13(11)21/h3-4,6,8,11-13,18,20H,2,5,7,16H2,1H3,(H,19,22).
What are the key properties of 2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90212064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).