2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H37FN8O2 — CID 140643778

IUPAC2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1C(=O)CCC12CCN(C1CCNCC1NC(=O)C1C(N)NN3CC(F)CNC13)CC2
InChIInChI=1S/C21H37FN8O2/c1-28-16(31)2-4-21(28)5-8-29(9-6-21)15-3-7-24-11-14(15)26-20(32)17-18(23)27-30-12-13(22)10-25-19(17)30/h13-15,17-19,24-25,27H,2-12,23H2,1H3,(H,26,32)
InChIKeyPNWFAAFUDURXEH-UHFFFAOYSA-N
MW452.58 g/mol
LogP-2.09
Rot. Bonds3

About 2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-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-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643778) has the molecular formula C21H37FN8O2 and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-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-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643778
Molecular FormulaC21H37FN8O2
Molecular Weight452.58 g/mol
Exact Mass452.30
IUPAC Name2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1C(=O)CCC12CCN(C1CCNCC1NC(=O)C1C(N)NN3CC(F)CNC13)CC2
InChIInChI=1S/C21H37FN8O2/c1-28-16(31)2-4-21(28)5-8-29(9-6-21)15-3-7-24-11-14(15)26-20(32)17-18(23)27-30-12-13(22)10-25-19(17)30/h13-15,17-19,24-25,27H,2-12,23H2,1H3,(H,26,32)
InChIKeyPNWFAAFUDURXEH-UHFFFAOYSA-N
XLogP-2.09
TPSA118.00 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-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-4-cyclooctyl-6-fluoro-N-[5-fluoro-4-[4-(3,3,4-trimethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123248589
2-amino-7-cyclohexyl-6-fluoro-N-[5-fluoro-4-[4-(4-methyl-4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123368489
2-amino-6-fluoro-N-[1-methyl-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129132794
2-amino-6-fluoro-N-[4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129132795
2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133217
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-[4-(2-methylpyrazolidin-3-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133525
2-amino-6-fluoro-N-[4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133526
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-(1-methyl-6-oxopiperidin-3-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133549
N-[4-[(3aR,7aR)-2-methyl-3-oxo-1,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]piperidin-3-yl]-2-amino-6-fluoro-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134165
2-amino-6-fluoro-N-[4-[4-[2-(methylamino)ethyl]pyrazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134490

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-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-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643778) is 2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-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-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-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-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1C(=O)CCC12CCN(C1CCNCC1NC(=O)C1C(N)NN3CC(F)CNC13)CC2.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PNWFAAFUDURXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37FN8O2/c1-28-16(31)2-4-21(28)5-8-29(9-6-21)15-3-7-24-11-14(15)26-20(32)17-18(23)27-30-12-13(22)10-25-19(17)30/h13-15,17-19,24-25,27H,2-12,23H2,1H3,(H,26,32).
What are the key properties of 2-amino-6-fluoro-N-[4-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-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-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.58 g/mol, XLogP of -2.09, 3 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-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).