4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one

C22H23N3O4 — CID 134226972

IUPAC4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one
SMILESCC(=O)CC(O)c1cnn(-c2ccc(Oc3cccc(OCC4CC4)c3)nc2)c1
InChIInChI=1S/C22H23N3O4/c1-15(26)9-21(27)17-11-24-25(13-17)18-7-8-22(23-12-18)29-20-4-2-3-19(10-20)28-14-16-5-6-16/h2-4,7-8,10-13,16,21,27H,5-6,9,14H2,1H3
InChIKeyIEEGHBZFHUNZMQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.86
Rot. Bonds9

About 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one

4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one (PubChem CID 134226972) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one.

Molecular Properties

Compound Name4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one
PubChem CID134226972
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one
SMILESCC(=O)CC(O)c1cnn(-c2ccc(Oc3cccc(OCC4CC4)c3)nc2)c1
InChIInChI=1S/C22H23N3O4/c1-15(26)9-21(27)17-11-24-25(13-17)18-7-8-22(23-12-18)29-20-4-2-3-19(10-20)28-14-16-5-6-16/h2-4,7-8,10-13,16,21,27H,5-6,9,14H2,1H3
InChIKeyIEEGHBZFHUNZMQ-UHFFFAOYSA-N
XLogP3.86
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
CID 130472859
6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide
CID 118134686
N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide
CID 134226929
1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol
CID 87693184
1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
CID 134226822
6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid
CID 134226939
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea
CID 130472639
tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
CID 140853256
6-[4-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]phenyl]-4-methylhexan-2-one
CID 58369078
(4S)-4-cyclopropyl-4-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]butan-2-one
CID 157291799
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one?
The IUPAC name of 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one (CID 134226972) is 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one.
What is the SMILES notation for 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one?
The canonical SMILES for 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one is CC(=O)CC(O)c1cnn(-c2ccc(Oc3cccc(OCC4CC4)c3)nc2)c1.
What is the InChIKey of 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one?
The InChIKey is IEEGHBZFHUNZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15(26)9-21(27)17-11-24-25(13-17)18-7-8-22(23-12-18)29-20-4-2-3-19(10-20)28-14-16-5-6-16/h2-4,7-8,10-13,16,21,27H,5-6,9,14H2,1H3.
What are the key properties of 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one?
4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one has a molecular weight of 393.44 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one is sourced from PubChem (CID 134226972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).