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

C20H38FN9O2 — CID 140643723

IUPAC2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1NNC(C2CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)O1
InChIInChI=1S/C20H38FN9O2/c1-11-26-27-20(32-11)12-3-6-29(7-4-12)15-2-5-23-9-14(15)25-19(31)16-17(22)28-30-10-13(21)8-24-18(16)30/h11-18,20,23-24,26-28H,2-10,22H2,1H3,(H,25,31)
InChIKeyBLEYKYWFCMGKJL-UHFFFAOYSA-N
MW455.58 g/mol
LogP-2.67
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643723) has the molecular formula C20H38FN9O2 and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643723
Molecular FormulaC20H38FN9O2
Molecular Weight455.58 g/mol
Exact Mass455.31
IUPAC Name2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1NNC(C2CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)O1
InChIInChI=1S/C20H38FN9O2/c1-11-26-27-20(32-11)12-3-6-29(7-4-12)15-2-5-23-9-14(15)25-19(31)16-17(22)28-30-10-13(21)8-24-18(16)30/h11-18,20,23-24,26-28H,2-10,22H2,1H3,(H,25,31)
InChIKeyBLEYKYWFCMGKJL-UHFFFAOYSA-N
XLogP-2.67
TPSA130.98 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 5-2.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-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-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643723) is 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1NNC(C2CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)O1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BLEYKYWFCMGKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FN9O2/c1-11-26-27-20(32-11)12-3-6-29(7-4-12)15-2-5-23-9-14(15)25-19(31)16-17(22)28-30-10-13(21)8-24-18(16)30/h11-18,20,23-24,26-28H,2-10,22H2,1H3,(H,25,31).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of -2.67, 4 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).