1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride

C20H26ClN5O2 — CID 71557085

IUPAC1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCN1CCN(CCCC(=O)n2nc(N)c3ccc(-c4ccco4)cc32)CC1.Cl
InChIInChI=1S/C20H25N5O2.ClH/c1-23-9-11-24(12-10-23)8-2-5-19(26)25-17-14-15(18-4-3-13-27-18)6-7-16(17)20(21)22-25;/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H2,21,22);1H
InChIKeyYHCINZGUEXIQAS-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.97
Rot. Bonds5

About 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride

1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride (PubChem CID 71557085) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride
PubChem CID71557085
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCN1CCN(CCCC(=O)n2nc(N)c3ccc(-c4ccco4)cc32)CC1.Cl
InChIInChI=1S/C20H25N5O2.ClH/c1-23-9-11-24(12-10-23)8-2-5-19(26)25-17-14-15(18-4-3-13-27-18)6-7-16(17)20(21)22-25;/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H2,21,22);1H
InChIKeyYHCINZGUEXIQAS-UHFFFAOYSA-N
XLogP2.97
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride with MolForge

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Related Compounds

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CID 122483255
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3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 67997008
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide
CID 59173863
1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861100
5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119393280
1-[3-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylamino]-1,2,4-triazol-1-yl]pentan-1-one
CID 53044252
1-[3-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylamino]-1,2,4-triazol-1-yl]hexan-1-one
CID 53044253
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine
CID 77091017
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride (CID 71557085) is 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride is CN1CCN(CCCC(=O)n2nc(N)c3ccc(-c4ccco4)cc32)CC1.Cl.
What is the InChIKey of 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride?
The InChIKey is YHCINZGUEXIQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.ClH/c1-23-9-11-24(12-10-23)8-2-5-19(26)25-17-14-15(18-4-3-13-27-18)6-7-16(17)20(21)22-25;/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H2,21,22);1H.
What are the key properties of 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride?
1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(furan-2-yl)indazol-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 71557085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).