3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide

C28H28N6O2 — CID 67960606

IUPAC3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c1
InChIInChI=1S/C28H28N6O2/c35-27(31-20-5-6-20)19-3-1-2-17(12-19)18-4-7-22-21(13-18)26(34-33-22)23-14-30-16-25(32-23)36-24-15-29-11-10-28(24)8-9-28/h1-4,7,12-14,16,20,24,29H,5-6,8-11,15H2,(H,31,35)(H,33,34)/t24-/m0/s1
InChIKeyUVVCREREBSSKQO-DEOSSOPVSA-N
MW480.57 g/mol
LogP4.10
Rot. Bonds6

About 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide

3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide (PubChem CID 67960606) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide
PubChem CID67960606
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c1
InChIInChI=1S/C28H28N6O2/c35-27(31-20-5-6-20)19-3-1-2-17(12-19)18-4-7-22-21(13-18)26(34-33-22)23-14-30-16-25(32-23)36-24-15-29-11-10-28(24)8-9-28/h1-4,7,12-14,16,20,24,29H,5-6,8-11,15H2,(H,31,35)(H,33,34)/t24-/m0/s1
InChIKeyUVVCREREBSSKQO-DEOSSOPVSA-N
XLogP4.10
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(4-fluoro-3-pyridinyl)-1H-indazole
CID 118725607
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid)
CID 86709785
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid
CID 67959814
5-(2,6-difluorophenyl)-3-[6-[(3R)-4,4-dimethylpiperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959780
5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960084
3-[6-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole
CID 57384133
5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960019
5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959597
3-(6-piperidin-3-yloxypyrazin-2-yl)-5-pyridazin-3-yl-1H-indazole
CID 67960106
N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 20789123
5-(5-fluoro-3-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960267
5-(2,6-difluorophenyl)-3-[6-[(3S,4S)-4-methylpiperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959616

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide?
The IUPAC name of 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide (CID 67960606) is 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1cccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c1.
What is the InChIKey of 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide?
The InChIKey is UVVCREREBSSKQO-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H28N6O2/c35-27(31-20-5-6-20)19-3-1-2-17(12-19)18-4-7-22-21(13-18)26(34-33-22)23-14-30-16-25(32-23)36-24-15-29-11-10-28(24)8-9-28/h1-4,7,12-14,16,20,24,29H,5-6,8-11,15H2,(H,31,35)(H,33,34)/t24-/m0/s1.
What are the key properties of 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide?
3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide has a molecular weight of 480.57 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 67960606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).