1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole

C23H22ClFN4O — CID 91027344

IUPAC1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole
SMILESFc1ccc(Cl)c(COn2ccc3ccc(-c4cnn(C5CCNCC5)c4)cc32)c1
InChIInChI=1S/C23H22ClFN4O/c24-22-4-3-20(25)11-18(22)15-30-29-10-7-16-1-2-17(12-23(16)29)19-13-27-28(14-19)21-5-8-26-9-6-21/h1-4,7,10-14,21,26H,5-6,8-9,15H2
InChIKeyGGCNGYACKYMKOL-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.85
Rot. Bonds5

About 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole

1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole (PubChem CID 91027344) has the molecular formula C23H22ClFN4O and a molecular weight of 424.91 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole
PubChem CID91027344
Molecular FormulaC23H22ClFN4O
Molecular Weight424.91 g/mol
Exact Mass424.15
IUPAC Name1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole
SMILESFc1ccc(Cl)c(COn2ccc3ccc(-c4cnn(C5CCNCC5)c4)cc32)c1
InChIInChI=1S/C23H22ClFN4O/c24-22-4-3-20(25)11-18(22)15-30-29-10-7-16-1-2-17(12-23(16)29)19-13-27-28(14-19)21-5-8-26-9-6-21/h1-4,7,10-14,21,26H,5-6,8-9,15H2
InChIKeyGGCNGYACKYMKOL-UHFFFAOYSA-N
XLogP4.85
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532470
6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine
CID 58532301
1-[(2-nitrophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532306
methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium
CID 91377064
1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium
CID 142755352
3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521365
2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 150865455
3-[(2-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 162656396
3-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123322795
3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 141449973
N-(3-chloro-4-fluorophenyl)-6-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-4-amine
CID 127045270
3-[(3-fluorophenoxy)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;hydrochloride
CID 118625534

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole (CID 91027344) is 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole is Fc1ccc(Cl)c(COn2ccc3ccc(-c4cnn(C5CCNCC5)c4)cc32)c1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole?
The InChIKey is GGCNGYACKYMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O/c24-22-4-3-20(25)11-18(22)15-30-29-10-7-16-1-2-17(12-23(16)29)19-13-27-28(14-19)21-5-8-26-9-6-21/h1-4,7,10-14,21,26H,5-6,8-9,15H2.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole?
1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole has a molecular weight of 424.91 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole is sourced from PubChem (CID 91027344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).