2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline

C26H29N5O2 — CID 175737761

IUPAC2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline
SMILESCC(C)n1cc(-c2ccc3ccc(Oc4cn(C5CC5)nc4C4CCOCC4)nc3c2)cn1
InChIInChI=1S/C26H29N5O2/c1-17(2)30-15-21(14-27-30)20-4-3-18-5-8-25(28-23(18)13-20)33-24-16-31(22-6-7-22)29-26(24)19-9-11-32-12-10-19/h3-5,8,13-17,19,22H,6-7,9-12H2,1-2H3
InChIKeyMDTAPZRHXUTQQT-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.90
Rot. Bonds6

About 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline

2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline (PubChem CID 175737761) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline
PubChem CID175737761
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline
SMILESCC(C)n1cc(-c2ccc3ccc(Oc4cn(C5CC5)nc4C4CCOCC4)nc3c2)cn1
InChIInChI=1S/C26H29N5O2/c1-17(2)30-15-21(14-27-30)20-4-3-18-5-8-25(28-23(18)13-20)33-24-16-31(22-6-7-22)29-26(24)19-9-11-32-12-10-19/h3-5,8,13-17,19,22H,6-7,9-12H2,1-2H3
InChIKeyMDTAPZRHXUTQQT-UHFFFAOYSA-N
XLogP5.90
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline
CID 175737723
2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 172677123
2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine
CID 156552887
7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine
CID 156552878
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
CID 162512313
N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine
CID 151726288
2-[7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridin-2-yl]prop-2-en-1-imine
CID 156553638
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol
CID 163594460
6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid
CID 172868751
1-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4,4-difluorocyclohexan-1-ol
CID 149066952
2-bromo-4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1-(2-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 175190996
[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
CID 171767737

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline?
The IUPAC name of 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline (CID 175737761) is 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline.
What is the SMILES notation for 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline?
The canonical SMILES for 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline is CC(C)n1cc(-c2ccc3ccc(Oc4cn(C5CC5)nc4C4CCOCC4)nc3c2)cn1.
What is the InChIKey of 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline?
The InChIKey is MDTAPZRHXUTQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-17(2)30-15-21(14-27-30)20-4-3-18-5-8-25(28-23(18)13-20)33-24-16-31(22-6-7-22)29-26(24)19-9-11-32-12-10-19/h3-5,8,13-17,19,22H,6-7,9-12H2,1-2H3.
What are the key properties of 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline?
2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline has a molecular weight of 443.55 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline is sourced from PubChem (CID 175737761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).