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

C16H25FN6O2 — CID 90212164

IUPAC2-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
SMILESCC(C)(C)Oc1ccncc1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C16H25FN6O2/c1-16(2,3)25-11-4-5-19-7-10(11)21-15(24)12-13(18)22-23-8-9(17)6-20-14(12)23/h4-5,7,9,12-14,20,22H,6,8,18H2,1-3H3,(H,21,24)
InChIKeyWKQYLLIAIFCBRO-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.19
Rot. Bonds3

About 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

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 (PubChem CID 90212164) has the molecular formula C16H25FN6O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID90212164
Molecular FormulaC16H25FN6O2
Molecular Weight352.41 g/mol
Exact Mass352.20
IUPAC Name2-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
SMILESCC(C)(C)Oc1ccncc1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C16H25FN6O2/c1-16(2,3)25-11-4-5-19-7-10(11)21-15(24)12-13(18)22-23-8-9(17)6-20-14(12)23/h4-5,7,9,12-14,20,22H,6,8,18H2,1-3H3,(H,21,24)
InChIKeyWKQYLLIAIFCBRO-UHFFFAOYSA-N
XLogP0.19
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)Oc1ccncc1NC(=O)C1C(N)NN2CC(F)CNC12.
What is the InChIKey of 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?
The InChIKey is WKQYLLIAIFCBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN6O2/c1-16(2,3)25-11-4-5-19-7-10(11)21-15(24)12-13(18)22-23-8-9(17)6-20-14(12)23/h4-5,7,9,12-14,20,22H,6,8,18H2,1-3H3,(H,21,24).
What are the key properties of 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?
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 has a molecular weight of 352.41 g/mol, XLogP of 0.19, 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-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90212164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).