4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide

C19H20ClN5O — CID 121327098

IUPAC4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C19H20ClN5O/c1-21-19(26)13-2-4-15(5-3-13)24-6-8-25(9-7-24)18-11-14(20)10-17-16(18)12-22-23-17/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23)
InChIKeyLVABYTPKCORBTI-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.90
Rot. Bonds3

About 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide

4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide (PubChem CID 121327098) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide
PubChem CID121327098
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C19H20ClN5O/c1-21-19(26)13-2-4-15(5-3-13)24-6-8-25(9-7-24)18-11-14(20)10-17-16(18)12-22-23-17/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23)
InChIKeyLVABYTPKCORBTI-UHFFFAOYSA-N
XLogP2.90
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide?
The IUPAC name of 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide (CID 121327098) is 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide?
The canonical SMILES for 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide is CNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.
What is the InChIKey of 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide?
The InChIKey is LVABYTPKCORBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-21-19(26)13-2-4-15(5-3-13)24-6-8-25(9-7-24)18-11-14(20)10-17-16(18)12-22-23-17/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide?
4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide has a molecular weight of 369.86 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 121327098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).