7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine

C20H25N7O — CID 90292716

IUPAC7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2cnc(N)c3cn[nH]c23)cc1C1[C@H]2CN(C3COC3)C[C@@H]12
InChIInChI=1S/C20H25N7O/c1-10(2)27-17(18-14-6-26(7-15(14)18)11-8-28-9-11)3-16(25-27)12-4-22-20(21)13-5-23-24-19(12)13/h3-5,10-11,14-15,18H,6-9H2,1-2H3,(H2,21,22)(H,23,24)/t14-,15+,18?
InChIKeyHTNKTPXNQZIMGF-MVVMVCHASA-N
MW379.47 g/mol
LogP2.03
Rot. Bonds4

About 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine

7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine (PubChem CID 90292716) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine
PubChem CID90292716
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2cnc(N)c3cn[nH]c23)cc1C1[C@H]2CN(C3COC3)C[C@@H]12
InChIInChI=1S/C20H25N7O/c1-10(2)27-17(18-14-6-26(7-15(14)18)11-8-28-9-11)3-16(25-27)12-4-22-20(21)13-5-23-24-19(12)13/h3-5,10-11,14-15,18H,6-9H2,1-2H3,(H2,21,22)(H,23,24)/t14-,15+,18?
InChIKeyHTNKTPXNQZIMGF-MVVMVCHASA-N
XLogP2.03
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine (CID 90292716) is 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine is CC(C)n1nc(-c2cnc(N)c3cn[nH]c23)cc1C1[C@H]2CN(C3COC3)C[C@@H]12.
What is the InChIKey of 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine?
The InChIKey is HTNKTPXNQZIMGF-MVVMVCHASA-N. The full InChI is InChI=1S/C20H25N7O/c1-10(2)27-17(18-14-6-26(7-15(14)18)11-8-28-9-11)3-16(25-27)12-4-22-20(21)13-5-23-24-19(12)13/h3-5,10-11,14-15,18H,6-9H2,1-2H3,(H2,21,22)(H,23,24)/t14-,15+,18?.
What are the key properties of 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine?
7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 379.47 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 90292716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).