7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine

C17H18ClN5 — CID 178001599

IUPAC7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine
SMILESClc1ccnc2cn(-c3ccc(CN4CCNCC4)cc3)nc12
InChIInChI=1S/C17H18ClN5/c18-15-5-6-20-16-12-23(21-17(15)16)14-3-1-13(2-4-14)11-22-9-7-19-8-10-22/h1-6,12,19H,7-11H2
InChIKeyLCJHBNAZJKXMMV-UHFFFAOYSA-N
MW327.82 g/mol
LogP2.48
Rot. Bonds3

About 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine

7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine (PubChem CID 178001599) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine
PubChem CID178001599
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine
SMILESClc1ccnc2cn(-c3ccc(CN4CCNCC4)cc3)nc12
InChIInChI=1S/C17H18ClN5/c18-15-5-6-20-16-12-23(21-17(15)16)14-3-1-13(2-4-14)11-22-9-7-19-8-10-22/h1-6,12,19H,7-11H2
InChIKeyLCJHBNAZJKXMMV-UHFFFAOYSA-N
XLogP2.48
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine
CID 117394628
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole
CID 117380176
7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine
CID 25003794
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
(4-chlorophenyl)-(7-chloroquinolin-4-yl)-[4-(piperazin-1-ylmethyl)phenyl]methanol
CID 162658505

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine?
The IUPAC name of 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine (CID 178001599) is 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine is Clc1ccnc2cn(-c3ccc(CN4CCNCC4)cc3)nc12.
What is the InChIKey of 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine?
The InChIKey is LCJHBNAZJKXMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c18-15-5-6-20-16-12-23(21-17(15)16)14-3-1-13(2-4-14)11-22-9-7-19-8-10-22/h1-6,12,19H,7-11H2.
What are the key properties of 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine?
7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine has a molecular weight of 327.82 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 178001599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).