5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine

C24H24ClF2N5O2 — CID 146304438

IUPAC5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4Cl)cc23)c1F
InChIInChI=1S/C24H24ClF2N5O2/c1-33-19-9-20(34-2)22(27)17(21(19)26)8-13-10-29-24-16(13)7-14(11-30-24)18-12-31-32(23(18)25)15-3-5-28-6-4-15/h7,9-12,15,28H,3-6,8H2,1-2H3,(H,29,30)
InChIKeyMTBYXRPYYOPPBH-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.89
Rot. Bonds6

About 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine

5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146304438) has the molecular formula C24H24ClF2N5O2 and a molecular weight of 487.94 g/mol. Its IUPAC name is 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID146304438
Molecular FormulaC24H24ClF2N5O2
Molecular Weight487.94 g/mol
Exact Mass487.16
IUPAC Name5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4Cl)cc23)c1F
InChIInChI=1S/C24H24ClF2N5O2/c1-33-19-9-20(34-2)22(27)17(21(19)26)8-13-10-29-24-16(13)7-14(11-30-24)18-12-31-32(23(18)25)15-3-5-28-6-4-15/h7,9-12,15,28H,3-6,8H2,1-2H3,(H,29,30)
InChIKeyMTBYXRPYYOPPBH-UHFFFAOYSA-N
XLogP4.89
TPSA76.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 146304438) is 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4Cl)cc23)c1F.
What is the InChIKey of 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MTBYXRPYYOPPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N5O2/c1-33-19-9-20(34-2)22(27)17(21(19)26)8-13-10-29-24-16(13)7-14(11-30-24)18-12-31-32(23(18)25)15-3-5-28-6-4-15/h7,9-12,15,28H,3-6,8H2,1-2H3,(H,29,30).
What are the key properties of 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 487.94 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146304438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).