[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone

C16H18N6O — CID 129328621

IUPAC[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCN1CCN(C(=O)c2n[nH]c3ccccc23)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C16H18N6O/c1-21-8-9-22(10-13(21)15-17-6-7-18-15)16(23)14-11-4-2-3-5-12(11)19-20-14/h2-7,13H,8-10H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyBVXKOEUNDRPZSA-ZDUSSCGKSA-N
MW310.36 g/mol
LogP1.41
Rot. Bonds2

About [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone

[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 129328621) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID129328621
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCN1CCN(C(=O)c2n[nH]c3ccccc23)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C16H18N6O/c1-21-8-9-22(10-13(21)15-17-6-7-18-15)16(23)14-11-4-2-3-5-12(11)19-20-14/h2-7,13H,8-10H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyBVXKOEUNDRPZSA-ZDUSSCGKSA-N
XLogP1.41
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone (CID 129328621) is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone is CN1CCN(C(=O)c2n[nH]c3ccccc23)C[C@H]1c1ncc[nH]1.
What is the InChIKey of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is BVXKOEUNDRPZSA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-8-9-22(10-13(21)15-17-6-7-18-15)16(23)14-11-4-2-3-5-12(11)19-20-14/h2-7,13H,8-10H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 310.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 129328621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).