3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole

C24H23ClN8O — CID 171410063

IUPAC3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole
SMILESCCC1(c2cc(C)on2)[C@@H]2CN(c3cnc4c(-c5ccc6nn(C)cc6c5Cl)[nH]nc4n3)C[C@@H]21
InChIInChI=1S/C24H23ClN8O/c1-4-24(18-7-12(2)34-31-18)15-10-33(11-16(15)24)19-8-26-22-21(28-29-23(22)27-19)13-5-6-17-14(20(13)25)9-32(3)30-17/h5-9,15-16H,4,10-11H2,1-3H3,(H,27,28,29)/t15-,16+,24?
InChIKeyQLGRQKXQBIMODE-LZFXEFOOSA-N
MW474.96 g/mol
LogP4.27
Rot. Bonds4

About 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole

3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole (PubChem CID 171410063) has the molecular formula C24H23ClN8O and a molecular weight of 474.96 g/mol. Its IUPAC name is 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole
PubChem CID171410063
Molecular FormulaC24H23ClN8O
Molecular Weight474.96 g/mol
Exact Mass474.17
IUPAC Name3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole
SMILESCCC1(c2cc(C)on2)[C@@H]2CN(c3cnc4c(-c5ccc6nn(C)cc6c5Cl)[nH]nc4n3)C[C@@H]21
InChIInChI=1S/C24H23ClN8O/c1-4-24(18-7-12(2)34-31-18)15-10-33(11-16(15)24)19-8-26-22-21(28-29-23(22)27-19)13-5-6-17-14(20(13)25)9-32(3)30-17/h5-9,15-16H,4,10-11H2,1-3H3,(H,27,28,29)/t15-,16+,24?
InChIKeyQLGRQKXQBIMODE-LZFXEFOOSA-N
XLogP4.27
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.96
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole (CID 171410063) is 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole is CCC1(c2cc(C)on2)[C@@H]2CN(c3cnc4c(-c5ccc6nn(C)cc6c5Cl)[nH]nc4n3)C[C@@H]21.
What is the InChIKey of 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole?
The InChIKey is QLGRQKXQBIMODE-LZFXEFOOSA-N. The full InChI is InChI=1S/C24H23ClN8O/c1-4-24(18-7-12(2)34-31-18)15-10-33(11-16(15)24)19-8-26-22-21(28-29-23(22)27-19)13-5-6-17-14(20(13)25)9-32(3)30-17/h5-9,15-16H,4,10-11H2,1-3H3,(H,27,28,29)/t15-,16+,24?.
What are the key properties of 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole?
3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole has a molecular weight of 474.96 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 171410063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).