[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone

C25H22ClN5O2 — CID 122196194

IUPAC[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone
SMILESNc1n[nH]c2cccc(-c3ccc(C(=O)N4CCN(C(=O)c5ccc(Cl)cc5)CC4)cc3)c12
InChIInChI=1S/C25H22ClN5O2/c26-19-10-8-18(9-11-19)25(33)31-14-12-30(13-15-31)24(32)17-6-4-16(5-7-17)20-2-1-3-21-22(20)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)
InChIKeyZINZLVSCZRWBEX-UHFFFAOYSA-N
MW459.94 g/mol
LogP4.06
Rot. Bonds3

About [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone

[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone (PubChem CID 122196194) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone
PubChem CID122196194
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Name[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone
SMILESNc1n[nH]c2cccc(-c3ccc(C(=O)N4CCN(C(=O)c5ccc(Cl)cc5)CC4)cc3)c12
InChIInChI=1S/C25H22ClN5O2/c26-19-10-8-18(9-11-19)25(33)31-14-12-30(13-15-31)24(32)17-6-4-16(5-7-17)20-2-1-3-21-22(20)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)
InChIKeyZINZLVSCZRWBEX-UHFFFAOYSA-N
XLogP4.06
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone (CID 122196194) is [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone is Nc1n[nH]c2cccc(-c3ccc(C(=O)N4CCN(C(=O)c5ccc(Cl)cc5)CC4)cc3)c12.
What is the InChIKey of [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is ZINZLVSCZRWBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c26-19-10-8-18(9-11-19)25(33)31-14-12-30(13-15-31)24(32)17-6-4-16(5-7-17)20-2-1-3-21-22(20)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29).
What are the key properties of [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone?
[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 459.94 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 122196194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).