6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline

C27H27N5O2 — CID 71739814

IUPAC6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3cc4ccc(-c5cnn(CCOC6CCCCO6)c5)cc4n3)cc2c1
InChIInChI=1S/C27H27N5O2/c1-2-12-33-27(5-1)34-13-11-31-19-24(16-29-31)21-7-8-23-18-32(30-26(23)15-21)17-20-6-9-25-22(14-20)4-3-10-28-25/h3-4,6-10,14-16,18-19,27H,1-2,5,11-13,17H2
InChIKeyVMWYPUTZWINMTO-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.04
Rot. Bonds7

About 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline

6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline (PubChem CID 71739814) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline
PubChem CID71739814
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3cc4ccc(-c5cnn(CCOC6CCCCO6)c5)cc4n3)cc2c1
InChIInChI=1S/C27H27N5O2/c1-2-12-33-27(5-1)34-13-11-31-19-24(16-29-31)21-7-8-23-18-32(30-26(23)15-21)17-20-6-9-25-22(14-20)4-3-10-28-25/h3-4,6-10,14-16,18-19,27H,1-2,5,11-13,17H2
InChIKeyVMWYPUTZWINMTO-UHFFFAOYSA-N
XLogP5.04
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline with MolForge

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Related Compounds

ethyl 2-{8-ethyl-3-phenyl-1H-pyrazolo[4,3-c]quinolin-1-yl}acetate
CID 6621648
6-[[6-(1-Methylpyrazol-4-yl)indazol-1-yl]methyl]quinoline
CID 71739682
6-[[6-[1-[2-(Oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-1-yl]methyl]quinoline
CID 71739683
2-[4-[1-(Quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
CID 71739810
4-[4-[1-(Quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 71739812
2-[4-[2-(Quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
CID 71739815
4-[4-[2-(Quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 71739938
4-[[4-[5,7-Dimethyl-4-(2-methylpyrazol-3-yl)-6-quinolyl]phenyl]methyl]morpholine
CID 126593695
ethyl (8-methyl-3-phenyl-1H-pyrazolo[4,3-c]quinolin-1-yl)acetate
CID 15945555
6-[[6-(1-Methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline
CID 71739813
4-[1-(4-Fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine
CID 16733985
4,6-Bis(4-fluorophenyl)-1-[2-(2-methoxyethoxy)ethyl]-5-pyridin-4-ylindazole
CID 69579782

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline?
The IUPAC name of 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline (CID 71739814) is 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline.
What is the SMILES notation for 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline?
The canonical SMILES for 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline is c1cnc2ccc(Cn3cc4ccc(-c5cnn(CCOC6CCCCO6)c5)cc4n3)cc2c1.
What is the InChIKey of 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline?
The InChIKey is VMWYPUTZWINMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-2-12-33-27(5-1)34-13-11-31-19-24(16-29-31)21-7-8-23-18-32(30-26(23)15-21)17-20-6-9-25-22(14-20)4-3-10-28-25/h3-4,6-10,14-16,18-19,27H,1-2,5,11-13,17H2.
What are the key properties of 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline?
6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline has a molecular weight of 453.55 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]indazol-2-yl]methyl]quinoline is sourced from PubChem (CID 71739814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).