5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine

C23H21ClFN5 — CID 134327996

IUPAC5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cccc5Cl)cc34)cc2)CC1
InChIInChI=1S/C23H21ClFN5/c1-29-9-11-30(12-10-29)16-7-5-15(6-8-16)23-17-13-20(26-14-21(17)27-28-23)22-18(24)3-2-4-19(22)25/h2-8,13-14H,9-12H2,1H3,(H,27,28)
InChIKeyNYHAJNSDIVITOG-UHFFFAOYSA-N
MW421.91 g/mol
LogP4.84
Rot. Bonds3

About 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine

5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 134327996) has the molecular formula C23H21ClFN5 and a molecular weight of 421.91 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID134327996
Molecular FormulaC23H21ClFN5
Molecular Weight421.91 g/mol
Exact Mass421.15
IUPAC Name5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cccc5Cl)cc34)cc2)CC1
InChIInChI=1S/C23H21ClFN5/c1-29-9-11-30(12-10-29)16-7-5-15(6-8-16)23-17-13-20(26-14-21(17)27-28-23)22-18(24)3-2-4-19(22)25/h2-8,13-14H,9-12H2,1H3,(H,27,28)
InChIKeyNYHAJNSDIVITOG-UHFFFAOYSA-N
XLogP4.84
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine (CID 134327996) is 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine is CN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cccc5Cl)cc34)cc2)CC1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is NYHAJNSDIVITOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5/c1-29-9-11-30(12-10-29)16-7-5-15(6-8-16)23-17-13-20(26-14-21(17)27-28-23)22-18(24)3-2-4-19(22)25/h2-8,13-14H,9-12H2,1H3,(H,27,28).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 421.91 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 134327996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).