N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide

C23H28ClN5O — CID 122175821

IUPACN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide
SMILESCc1ccc(Cl)cc1N1CCN(CCNC(=O)C(C)n2ncc3ccccc32)CC1
InChIInChI=1S/C23H28ClN5O/c1-17-7-8-20(24)15-22(17)28-13-11-27(12-14-28)10-9-25-23(30)18(2)29-21-6-4-3-5-19(21)16-26-29/h3-8,15-16,18H,9-14H2,1-2H3,(H,25,30)
InChIKeyXHOMUZAHQDTNEC-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.50
Rot. Bonds6

About N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide

N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide (PubChem CID 122175821) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide
PubChem CID122175821
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC NameN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide
SMILESCc1ccc(Cl)cc1N1CCN(CCNC(=O)C(C)n2ncc3ccccc32)CC1
InChIInChI=1S/C23H28ClN5O/c1-17-7-8-20(24)15-22(17)28-13-11-27(12-14-28)10-9-25-23(30)18(2)29-21-6-4-3-5-19(21)16-26-29/h3-8,15-16,18H,9-14H2,1-2H3,(H,25,30)
InChIKeyXHOMUZAHQDTNEC-UHFFFAOYSA-N
XLogP3.50
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide?
The IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide (CID 122175821) is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide?
The canonical SMILES for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide is Cc1ccc(Cl)cc1N1CCN(CCNC(=O)C(C)n2ncc3ccccc32)CC1.
What is the InChIKey of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide?
The InChIKey is XHOMUZAHQDTNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O/c1-17-7-8-20(24)15-22(17)28-13-11-27(12-14-28)10-9-25-23(30)18(2)29-21-6-4-3-5-19(21)16-26-29/h3-8,15-16,18H,9-14H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide?
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide has a molecular weight of 425.96 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-indazol-1-ylpropanamide is sourced from PubChem (CID 122175821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).