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

C17H33FN8O — CID 134339903

IUPAC2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CNCC1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C17H33FN8O/c1-2-25-9-21-7-13(25)11-3-4-20-6-12(11)23-17(27)14-15(19)24-26-8-10(18)5-22-16(14)26/h10-16,20-22,24H,2-9,19H2,1H3,(H,23,27)
InChIKeyRJYUYPJXAHTWMT-UHFFFAOYSA-N
MW384.50 g/mol
LogP-2.68
Rot. Bonds4

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

2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134339903) has the molecular formula C17H33FN8O and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-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-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134339903
Molecular FormulaC17H33FN8O
Molecular Weight384.50 g/mol
Exact Mass384.28
IUPAC Name2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CNCC1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C17H33FN8O/c1-2-25-9-21-7-13(25)11-3-4-20-6-12(11)23-17(27)14-15(19)24-26-8-10(18)5-22-16(14)26/h10-16,20-22,24H,2-9,19H2,1H3,(H,23,27)
InChIKeyRJYUYPJXAHTWMT-UHFFFAOYSA-N
XLogP-2.68
TPSA109.72 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 5-2.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-3-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-[4-(3-ethylimidazolidin-4-yl)piperidin-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-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134339903) is 2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-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-(3-ethylimidazolidin-4-yl)piperidin-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-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CNCC1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12.
What is the InChIKey of 2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RJYUYPJXAHTWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN8O/c1-2-25-9-21-7-13(25)11-3-4-20-6-12(11)23-17(27)14-15(19)24-26-8-10(18)5-22-16(14)26/h10-16,20-22,24H,2-9,19H2,1H3,(H,23,27).
What are the key properties of 2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of -2.68, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(3-ethylimidazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134339903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).