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

C13H19FN6O2 — CID 90212255

IUPAC2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccncc1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C13H19FN6O2/c1-22-9-2-3-16-5-8(9)18-13(21)10-11(15)19-20-6-7(14)4-17-12(10)20/h2-3,5,7,10-12,17,19H,4,6,15H2,1H3,(H,18,21)
InChIKeyGRBLOBLJFHPOJY-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.98
Rot. Bonds3

About 2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90212255) has the molecular formula C13H19FN6O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90212255
Molecular FormulaC13H19FN6O2
Molecular Weight310.33 g/mol
Exact Mass310.16
IUPAC Name2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccncc1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C13H19FN6O2/c1-22-9-2-3-16-5-8(9)18-13(21)10-11(15)19-20-6-7(14)4-17-12(10)20/h2-3,5,7,10-12,17,19H,4,6,15H2,1H3,(H,18,21)
InChIKeyGRBLOBLJFHPOJY-UHFFFAOYSA-N
XLogP-0.98
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(4-methoxy-3-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 155883908
3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(oxetan-3-yloxy)-3-pyridinyl]propanamide
CID 90211982
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide
CID 90212052
3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide
CID 90212063
2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212064
2-amino-6-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212164
2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212168
2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212239
3,3-diamino-2-[5-(cyanomethyl)-1,3-diazinan-2-yl]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 90212253
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide
CID 90382385
3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 90382399
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide
CID 90382400

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90212255) is 2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccncc1NC(=O)C1C(N)NN2CC(F)CNC12.
What is the InChIKey of 2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GRBLOBLJFHPOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN6O2/c1-22-9-2-3-16-5-8(9)18-13(21)10-11(15)19-20-6-7(14)4-17-12(10)20/h2-3,5,7,10-12,17,19H,4,6,15H2,1H3,(H,18,21).
What are the key properties of 2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90212255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).