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

C15H27FN8O — CID 129133111

IUPAC2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)C=NC2C1C(=O)NC1CNCCC1N1CCNC1
InChIInChI=1S/C15H27FN8O/c16-9-5-20-14-12(13(17)22-24(14)7-9)15(25)21-10-6-18-2-1-11(10)23-4-3-19-8-23/h5,9-14,18-19,22H,1-4,6-8,17H2,(H,21,25)
InChIKeyZIZDJFVRTMJDNW-UHFFFAOYSA-N
MW354.43 g/mol
LogP-2.83
Rot. Bonds3

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

2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129133111) has the molecular formula C15H27FN8O and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129133111
Molecular FormulaC15H27FN8O
Molecular Weight354.43 g/mol
Exact Mass354.23
IUPAC Name2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)C=NC2C1C(=O)NC1CNCCC1N1CCNC1
InChIInChI=1S/C15H27FN8O/c16-9-5-20-14-12(13(17)22-24(14)7-9)15(25)21-10-6-18-2-1-11(10)23-4-3-19-8-23/h5,9-14,18-19,22H,1-4,6-8,17H2,(H,21,25)
InChIKeyZIZDJFVRTMJDNW-UHFFFAOYSA-N
XLogP-2.83
TPSA110.05 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-2.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-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-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129133111) is 2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-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-imidazolidin-1-ylpiperidin-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-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)C=NC2C1C(=O)NC1CNCCC1N1CCNC1.
What is the InChIKey of 2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZIZDJFVRTMJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN8O/c16-9-5-20-14-12(13(17)22-24(14)7-9)15(25)21-10-6-18-2-1-11(10)23-4-3-19-8-23/h5,9-14,18-19,22H,1-4,6-8,17H2,(H,21,25).
What are the key properties of 2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of -2.83, 3 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-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129133111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).