2-amino-6-fluoro-N-[4-[4-(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

C19H36FN9O2 — CID 134577741

IUPAC2-amino-6-fluoro-N-[4-[4-(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
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1N1CCC(C2NNCO2)CC1
InChIInChI=1S/C19H36FN9O2/c20-12-7-23-17-15(16(21)27-29(17)9-12)18(30)25-13-8-22-4-1-14(13)28-5-2-11(3-6-28)19-26-24-10-31-19/h11-17,19,22-24,26-27H,1-10,21H2,(H,25,30)
InChIKeyGDROOMLGPSXKRV-UHFFFAOYSA-N
MW441.56 g/mol
LogP-3.06
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[4-(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-(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 134577741) has the molecular formula C19H36FN9O2 and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(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-(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 CID134577741
Molecular FormulaC19H36FN9O2
Molecular Weight441.56 g/mol
Exact Mass441.30
IUPAC Name2-amino-6-fluoro-N-[4-[4-(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
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1N1CCC(C2NNCO2)CC1
InChIInChI=1S/C19H36FN9O2/c20-12-7-23-17-15(16(21)27-29(17)9-12)18(30)25-13-8-22-4-1-14(13)28-5-2-11(3-6-28)19-26-24-10-31-19/h11-17,19,22-24,26-27H,1-10,21H2,(H,25,30)
InChIKeyGDROOMLGPSXKRV-UHFFFAOYSA-N
XLogP-3.06
TPSA130.98 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 5-3.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 2-amino-6-fluoro-N-[4-[4-(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-(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-(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 134577741) is 2-amino-6-fluoro-N-[4-[4-(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-(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-(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 NC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1N1CCC(C2NNCO2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(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 GDROOMLGPSXKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FN9O2/c20-12-7-23-17-15(16(21)27-29(17)9-12)18(30)25-13-8-22-4-1-14(13)28-5-2-11(3-6-28)19-26-24-10-31-19/h11-17,19,22-24,26-27H,1-10,21H2,(H,25,30).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(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-(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 441.56 g/mol, XLogP of -3.06, 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-(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 134577741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).