N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine

C24H30N6O2S — CID 156518523

IUPACN-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine
SMILESC/N=C/C1(c2ccc3cnn(-c4ccnc(N5CCN(S(C)(=O)=O)[C@@H](C)C5)c4)c3c2)CCC1
InChIInChI=1S/C24H30N6O2S/c1-18-16-28(11-12-29(18)33(3,31)32)23-14-21(7-10-26-23)30-22-13-20(6-5-19(22)15-27-30)24(17-25-2)8-4-9-24/h5-7,10,13-15,17-18H,4,8-9,11-12,16H2,1-3H3/b25-17+/t18-/m0/s1
InChIKeyRPIWMAAZPUBXMQ-WLXKGNRNSA-N
MW466.61 g/mol
LogP3.01
Rot. Bonds5

About N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine

N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine (PubChem CID 156518523) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine
PubChem CID156518523
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC NameN-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine
SMILESC/N=C/C1(c2ccc3cnn(-c4ccnc(N5CCN(S(C)(=O)=O)[C@@H](C)C5)c4)c3c2)CCC1
InChIInChI=1S/C24H30N6O2S/c1-18-16-28(11-12-29(18)33(3,31)32)23-14-21(7-10-26-23)30-22-13-20(6-5-19(22)15-27-30)24(17-25-2)8-4-9-24/h5-7,10,13-15,17-18H,4,8-9,11-12,16H2,1-3H3/b25-17+/t18-/m0/s1
InChIKeyRPIWMAAZPUBXMQ-WLXKGNRNSA-N
XLogP3.01
TPSA83.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[1-[6-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550248
N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
CID 138455164
1-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)indazole
CID 137659673
N-[2-[[[3-[6-(piperidin-4-ylamino)-3-pyridinyl]-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
CID 155543447
1-[1-(5-Methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
CID 127048821
2-(4-Ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 15988343
N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide
CID 90670295
4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine
CID 118720618
4-(4-Methyl-3-pyridinyl)-1-pyridin-2-ylindazole
CID 127031979
4-(4-Methyl-3-pyridinyl)-1-pyrazin-2-ylindazole
CID 127031980
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
CID 145973178
N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
CID 155539036

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine?
The IUPAC name of N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine (CID 156518523) is N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine.
What is the SMILES notation for N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine?
The canonical SMILES for N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine is C/N=C/C1(c2ccc3cnn(-c4ccnc(N5CCN(S(C)(=O)=O)[C@@H](C)C5)c4)c3c2)CCC1.
What is the InChIKey of N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine?
The InChIKey is RPIWMAAZPUBXMQ-WLXKGNRNSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-18-16-28(11-12-29(18)33(3,31)32)23-14-21(7-10-26-23)30-22-13-20(6-5-19(22)15-27-30)24(17-25-2)8-4-9-24/h5-7,10,13-15,17-18H,4,8-9,11-12,16H2,1-3H3/b25-17+/t18-/m0/s1.
What are the key properties of N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine?
N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine has a molecular weight of 466.61 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine is sourced from PubChem (CID 156518523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).