5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine

C22H31N5O2 — CID 90292677

IUPAC5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C(C)C)n2)cnc1N
InChIInChI=1S/C22H31N5O2/c1-12(2)27-19(21-16-8-26(9-17(16)21)15-10-28-11-15)6-18(25-27)14-5-20(29-13(3)4)22(23)24-7-14/h5-7,12-13,15-17,21H,8-11H2,1-4H3,(H2,23,24)/t16-,17+,21?
InChIKeyMZYXLFMVMVMKJO-QRTHJKPMSA-N
MW397.52 g/mol
LogP2.94
Rot. Bonds6

About 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine

5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine (PubChem CID 90292677) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
PubChem CID90292677
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C(C)C)n2)cnc1N
InChIInChI=1S/C22H31N5O2/c1-12(2)27-19(21-16-8-26(9-17(16)21)15-10-28-11-15)6-18(25-27)14-5-20(29-13(3)4)22(23)24-7-14/h5-7,12-13,15-17,21H,8-11H2,1-4H3,(H2,23,24)/t16-,17+,21?
InChIKeyMZYXLFMVMVMKJO-QRTHJKPMSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine (CID 90292677) is 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine is CC(C)Oc1cc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C(C)C)n2)cnc1N.
What is the InChIKey of 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
The InChIKey is MZYXLFMVMVMKJO-QRTHJKPMSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-12(2)27-19(21-16-8-26(9-17(16)21)15-10-28-11-15)6-18(25-27)14-5-20(29-13(3)4)22(23)24-7-14/h5-7,12-13,15-17,21H,8-11H2,1-4H3,(H2,23,24)/t16-,17+,21?.
What are the key properties of 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine has a molecular weight of 397.52 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 90292677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).