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

C17H33FN8O — CID 130280118

IUPAC2-amino-N-[4-(4,5-dimethylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1NCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)C1C
InChIInChI=1S/C17H33FN8O/c1-9-10(2)25(8-22-9)13-3-4-20-6-12(13)23-17(27)14-15(19)24-26-7-11(18)5-21-16(14)26/h9-16,20-22,24H,3-8,19H2,1-2H3,(H,23,27)
InChIKeyYERQQYZWGKTGLR-UHFFFAOYSA-N
MW384.50 g/mol
LogP-2.54
Rot. Bonds3

About 2-amino-N-[4-(4,5-dimethylimidazolidin-1-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-(4,5-dimethylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 130280118) has the molecular formula C17H33FN8O and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-amino-N-[4-(4,5-dimethylimidazolidin-1-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-(4,5-dimethylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID130280118
Molecular FormulaC17H33FN8O
Molecular Weight384.50 g/mol
Exact Mass384.28
IUPAC Name2-amino-N-[4-(4,5-dimethylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1NCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)C1C
InChIInChI=1S/C17H33FN8O/c1-9-10(2)25(8-22-9)13-3-4-20-6-12(13)23-17(27)14-15(19)24-26-7-11(18)5-21-16(14)26/h9-16,20-22,24H,3-8,19H2,1-2H3,(H,23,27)
InChIKeyYERQQYZWGKTGLR-UHFFFAOYSA-N
XLogP-2.54
TPSA109.72 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 5-2.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[4-(4,5-dimethylimidazolidin-1-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-(4,5-dimethylimidazolidin-1-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-(4,5-dimethylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 130280118) is 2-amino-N-[4-(4,5-dimethylimidazolidin-1-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-(4,5-dimethylimidazolidin-1-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-(4,5-dimethylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1NCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)C1C.
What is the InChIKey of 2-amino-N-[4-(4,5-dimethylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YERQQYZWGKTGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN8O/c1-9-10(2)25(8-22-9)13-3-4-20-6-12(13)23-17(27)14-15(19)24-26-7-11(18)5-21-16(14)26/h9-16,20-22,24H,3-8,19H2,1-2H3,(H,23,27).
What are the key properties of 2-amino-N-[4-(4,5-dimethylimidazolidin-1-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-(4,5-dimethylimidazolidin-1-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 -2.54, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4,5-dimethylimidazolidin-1-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 130280118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).