5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine

C23H21F2N5 — CID 134327916

IUPAC5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cccc(F)c5F)nc34)cc2)CC1
InChIInChI=1S/C23H21F2N5/c1-29-11-13-30(14-12-29)16-7-5-15(6-8-16)22-23-20(27-28-22)10-9-19(26-23)17-3-2-4-18(24)21(17)25/h2-10H,11-14H2,1H3,(H,27,28)
InChIKeyLUCMIFKWEZLJKS-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.32
Rot. Bonds3

About 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine

5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 134327916) has the molecular formula C23H21F2N5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID134327916
Molecular FormulaC23H21F2N5
Molecular Weight405.45 g/mol
Exact Mass405.18
IUPAC Name5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cccc(F)c5F)nc34)cc2)CC1
InChIInChI=1S/C23H21F2N5/c1-29-11-13-30(14-12-29)16-7-5-15(6-8-16)22-23-20(27-28-22)10-9-19(26-23)17-3-2-4-18(24)21(17)25/h2-10H,11-14H2,1H3,(H,27,28)
InChIKeyLUCMIFKWEZLJKS-UHFFFAOYSA-N
XLogP4.32
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine (CID 134327916) is 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine is CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cccc(F)c5F)nc34)cc2)CC1.
What is the InChIKey of 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is LUCMIFKWEZLJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5/c1-29-11-13-30(14-12-29)16-7-5-15(6-8-16)22-23-20(27-28-22)10-9-19(26-23)17-3-2-4-18(24)21(17)25/h2-10H,11-14H2,1H3,(H,27,28).
What are the key properties of 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 405.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134327916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).