7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane

C21H22N4O2 — CID 78324051

IUPAC7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
SMILESc1cc(-c2n[nH]c3ccc(OC4CC4)cc23)cc(N2CCOC3(CC3)C2)n1
InChIInChI=1S/C21H22N4O2/c1-2-15(1)27-16-3-4-18-17(12-16)20(24-23-18)14-5-8-22-19(11-14)25-9-10-26-21(13-25)6-7-21/h3-5,8,11-12,15H,1-2,6-7,9-10,13H2,(H,23,24)
InChIKeyBQQJTCDVDHLBMP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.54
Rot. Bonds4

About 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane

7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane (PubChem CID 78324051) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
PubChem CID78324051
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
SMILESc1cc(-c2n[nH]c3ccc(OC4CC4)cc23)cc(N2CCOC3(CC3)C2)n1
InChIInChI=1S/C21H22N4O2/c1-2-15(1)27-16-3-4-18-17(12-16)20(24-23-18)14-5-8-22-19(11-14)25-9-10-26-21(13-25)6-7-21/h3-5,8,11-12,15H,1-2,6-7,9-10,13H2,(H,23,24)
InChIKeyBQQJTCDVDHLBMP-UHFFFAOYSA-N
XLogP3.54
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane with MolForge

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Related Compounds

3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 78324047
3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-ethoxy-1H-indazole
CID 123204578
2-methyl-1-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]propan-2-ol
CID 90400992
5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 78321211
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
CID 90400886
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 90400944
[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 90400768
3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole
CID 90400906
5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole
CID 90401021
4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine
CID 123187255

Frequently Asked Questions

What is the IUPAC name of 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane (CID 78324051) is 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane is c1cc(-c2n[nH]c3ccc(OC4CC4)cc23)cc(N2CCOC3(CC3)C2)n1.
What is the InChIKey of 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is BQQJTCDVDHLBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-15(1)27-16-3-4-18-17(12-16)20(24-23-18)14-5-8-22-19(11-14)25-9-10-26-21(13-25)6-7-21/h3-5,8,11-12,15H,1-2,6-7,9-10,13H2,(H,23,24).
What are the key properties of 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?
7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 362.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 78324051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).