2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H34FN7O — CID 130280287

IUPAC2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC(F)CN2NC(N)C(C(=O)NC3CNCCC3C3CCCNC3)C12
InChIInChI=1S/C18H34FN7O/c1-25-9-12(19)10-26-18(25)15(16(20)24-26)17(27)23-14-8-22-6-4-13(14)11-3-2-5-21-7-11/h11-16,18,21-22,24H,2-10,20H2,1H3,(H,23,27)
InChIKeyLRNSCADXPHXGAQ-UHFFFAOYSA-N
MW383.52 g/mol
LogP-1.59
Rot. Bonds3

About 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 130280287) has the molecular formula C18H34FN7O and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID130280287
Molecular FormulaC18H34FN7O
Molecular Weight383.52 g/mol
Exact Mass383.28
IUPAC Name2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC(F)CN2NC(N)C(C(=O)NC3CNCCC3C3CCCNC3)C12
InChIInChI=1S/C18H34FN7O/c1-25-9-12(19)10-26-18(25)15(16(20)24-26)17(27)23-14-8-22-6-4-13(14)11-3-2-5-21-7-11/h11-16,18,21-22,24H,2-10,20H2,1H3,(H,23,27)
InChIKeyLRNSCADXPHXGAQ-UHFFFAOYSA-N
XLogP-1.59
TPSA97.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 5-1.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 130280287) is 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC(F)CN2NC(N)C(C(=O)NC3CNCCC3C3CCCNC3)C12.
What is the InChIKey of 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LRNSCADXPHXGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34FN7O/c1-25-9-12(19)10-26-18(25)15(16(20)24-26)17(27)23-14-8-22-6-4-13(14)11-3-2-5-21-7-11/h11-16,18,21-22,24H,2-10,20H2,1H3,(H,23,27).
What are the key properties of 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of -1.59, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-4-methyl-N-(4-piperidin-3-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 130280287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).