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

C13H24FN7O — CID 90448300

IUPAC2-amino-N-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCN1C1CC1
InChIInChI=1S/C13H24FN7O/c14-7-3-17-12-10(11(15)19-21(12)5-7)13(22)18-9-4-16-6-20(9)8-1-2-8/h7-12,16-17,19H,1-6,15H2,(H,18,22)
InChIKeyZALAVNPQZKXJSJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP-2.56
Rot. Bonds3

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

2-amino-N-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90448300) has the molecular formula C13H24FN7O and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-amino-N-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90448300
Molecular FormulaC13H24FN7O
Molecular Weight313.38 g/mol
Exact Mass313.20
IUPAC Name2-amino-N-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCN1C1CC1
InChIInChI=1S/C13H24FN7O/c14-7-3-17-12-10(11(15)19-21(12)5-7)13(22)18-9-4-16-6-20(9)8-1-2-8/h7-12,16-17,19H,1-6,15H2,(H,18,22)
InChIKeyZALAVNPQZKXJSJ-UHFFFAOYSA-N
XLogP-2.56
TPSA97.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-(3-cyclopropylimidazolidin-4-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-(3-cyclopropylimidazolidin-4-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-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90448300) is 2-amino-N-(3-cyclopropylimidazolidin-4-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-(3-cyclopropylimidazolidin-4-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-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCN1C1CC1.
What is the InChIKey of 2-amino-N-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZALAVNPQZKXJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN7O/c14-7-3-17-12-10(11(15)19-21(12)5-7)13(22)18-9-4-16-6-20(9)8-1-2-8/h7-12,16-17,19H,1-6,15H2,(H,18,22).
What are the key properties of 2-amino-N-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of -2.56, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyclopropylimidazolidin-4-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90448300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).