1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine

C22H21ClFN5O — CID 58532433

IUPAC1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESFc1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c(Cl)c1
InChIInChI=1S/C22H21ClFN5O/c23-20-10-18(24)2-1-15(20)14-30-29-8-5-21-22(29)9-16(11-26-21)17-12-27-28(13-17)19-3-6-25-7-4-19/h1-2,5,8-13,19,25H,3-4,6-7,14H2
InChIKeyPYKYIMQEJDWEJY-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.25
Rot. Bonds5

About 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine

1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 58532433) has the molecular formula C22H21ClFN5O and a molecular weight of 425.90 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID58532433
Molecular FormulaC22H21ClFN5O
Molecular Weight425.90 g/mol
Exact Mass425.14
IUPAC Name1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESFc1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c(Cl)c1
InChIInChI=1S/C22H21ClFN5O/c23-20-10-18(24)2-1-15(20)14-30-29-8-5-21-22(29)9-16(11-26-21)17-12-27-28(13-17)19-3-6-25-7-4-19/h1-2,5,8-13,19,25H,3-4,6-7,14H2
InChIKeyPYKYIMQEJDWEJY-UHFFFAOYSA-N
XLogP4.25
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 58532433) is 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is Fc1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is PYKYIMQEJDWEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O/c23-20-10-18(24)2-1-15(20)14-30-29-8-5-21-22(29)9-16(11-26-21)17-12-27-28(13-17)19-3-6-25-7-4-19/h1-2,5,8-13,19,25H,3-4,6-7,14H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 425.90 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58532433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).