6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline

C27H29N7O2 — CID 66994859

IUPAC6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline
SMILESCC(C)(c1ccc2ncccc2c1)n1nnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nc21
InChIInChI=1S/C27H29N7O2/c1-27(2,21-8-9-22-19(16-21)6-5-12-28-22)34-26-24(31-32-34)11-10-23(30-26)20-17-29-33(18-20)13-15-36-25-7-3-4-14-35-25/h5-6,8-12,16-18,25H,3-4,7,13-15H2,1-2H3
InChIKeyFUMKGBYHSXKPDU-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.56
Rot. Bonds7

About 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline

6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline (PubChem CID 66994859) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline.

Molecular Properties

Compound Name6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline
PubChem CID66994859
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline
SMILESCC(C)(c1ccc2ncccc2c1)n1nnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nc21
InChIInChI=1S/C27H29N7O2/c1-27(2,21-8-9-22-19(16-21)6-5-12-28-22)34-26-24(31-32-34)11-10-23(30-26)20-17-29-33(18-20)13-15-36-25-7-3-4-14-35-25/h5-6,8-12,16-18,25H,3-4,7,13-15H2,1-2H3
InChIKeyFUMKGBYHSXKPDU-UHFFFAOYSA-N
XLogP4.56
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline?
The IUPAC name of 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline (CID 66994859) is 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline.
What is the SMILES notation for 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline?
The canonical SMILES for 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline is CC(C)(c1ccc2ncccc2c1)n1nnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nc21.
What is the InChIKey of 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline?
The InChIKey is FUMKGBYHSXKPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-27(2,21-8-9-22-19(16-21)6-5-12-28-22)34-26-24(31-32-34)11-10-23(30-26)20-17-29-33(18-20)13-15-36-25-7-3-4-14-35-25/h5-6,8-12,16-18,25H,3-4,7,13-15H2,1-2H3.
What are the key properties of 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline?
6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline has a molecular weight of 483.58 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline is sourced from PubChem (CID 66994859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).