2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine

C27H32N6O2 — CID 172677123

IUPAC2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1
InChIInChI=1S/C27H32N6O2/c1-31(2)11-12-32-17-21(16-29-32)20-3-6-23-24(15-20)28-10-7-25(23)35-26-18-33(22-4-5-22)30-27(26)19-8-13-34-14-9-19/h3,6-7,10,15-19,22H,4-5,8-9,11-14H2,1-2H3
InChIKeyLIQDXCQFZSABQZ-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.88
Rot. Bonds8

About 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 172677123) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID172677123
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1
InChIInChI=1S/C27H32N6O2/c1-31(2)11-12-32-17-21(16-29-32)20-3-6-23-24(15-20)28-10-7-25(23)35-26-18-33(22-4-5-22)30-27(26)19-8-13-34-14-9-19/h3,6-7,10,15-19,22H,4-5,8-9,11-14H2,1-2H3
InChIKeyLIQDXCQFZSABQZ-UHFFFAOYSA-N
XLogP4.88
TPSA70.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine
CID 156552887
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
2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline
CID 175737761
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
CID 162512313
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
2-bromo-4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1-(2-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 175190996
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(furan-3-yl)-4-pyridinyl]quinolin-4-amine
CID 164609521
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
2-[4-[4-[6-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 164616244
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
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methyl-5-(4-methylphenyl)-1-(oxan-4-yl)-4-oxopyridazine-3-carboxamide
CID 139336944

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 172677123) is 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1.
What is the InChIKey of 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is LIQDXCQFZSABQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-31(2)11-12-32-17-21(16-29-32)20-3-6-23-24(15-20)28-10-7-25(23)35-26-18-33(22-4-5-22)30-27(26)19-8-13-34-14-9-19/h3,6-7,10,15-19,22H,4-5,8-9,11-14H2,1-2H3.
What are the key properties of 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 472.59 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 172677123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).