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

C20H36FN7O2 — CID 140643821

IUPAC2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H36FN7O2/c21-13-7-24-19-17(18(22)26-28(19)9-13)20(29)25-16-8-23-4-1-15(16)12-2-5-27(6-3-12)14-10-30-11-14/h12-19,23-24,26H,1-11,22H2,(H,25,29)
InChIKeyXLGKUIIYJSJHIF-UHFFFAOYSA-N
MW425.55 g/mol
LogP-1.82
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-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-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643821) has the molecular formula C20H36FN7O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-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-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643821
Molecular FormulaC20H36FN7O2
Molecular Weight425.55 g/mol
Exact Mass425.29
IUPAC Name2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H36FN7O2/c21-13-7-24-19-17(18(22)26-28(19)9-13)20(29)25-16-8-23-4-1-15(16)12-2-5-27(6-3-12)14-10-30-11-14/h12-19,23-24,26H,1-11,22H2,(H,25,29)
InChIKeyXLGKUIIYJSJHIF-UHFFFAOYSA-N
XLogP-1.82
TPSA106.92 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 5-1.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-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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Related Compounds

2-amino-3a-cyclohexyl-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]-2,3,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123449670
2-amino-6-fluoro-4-methyl-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133110
2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133413
2-amino-6-fluoro-N-[1-methyl-4-(1-methylpiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133546
2-amino-6-fluoro-N-[4-(5-methyl-1,3-diazinan-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134704
2-amino-6-fluoro-N-[4-(2-methylpiperidin-3-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134800
2-amino-6-fluoro-N-[4-(4-methylpiperidin-3-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130278929
2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130279983
2-amino-6-fluoro-4-methyl-N-(4-piperidin-4-ylpiperidin-3-yl)-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280056
2-amino-6-fluoro-N-[4-(3-methylpiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280057
2-amino-6-fluoro-N-[4-(6-fluoro-2-methylpiperidin-3-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280076
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-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-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643821) is 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-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-[1-(oxetan-3-yl)piperidin-4-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-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CCN(C2COC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XLGKUIIYJSJHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36FN7O2/c21-13-7-24-19-17(18(22)26-28(19)9-13)20(29)25-16-8-23-4-1-15(16)12-2-5-27(6-3-12)14-10-30-11-14/h12-19,23-24,26H,1-11,22H2,(H,25,29).
What are the key properties of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-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-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 425.55 g/mol, XLogP of -1.82, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).