N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide

C22H27N5O2 — CID 167767779

IUPACN-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide
SMILESCN1CCN(Cc2ccccc2)C(CNC(=O)c2cc(O)c3cnn(C)c3c2)C1
InChIInChI=1S/C22H27N5O2/c1-25-8-9-27(14-16-6-4-3-5-7-16)18(15-25)12-23-22(29)17-10-20-19(21(28)11-17)13-24-26(20)2/h3-7,10-11,13,18,28H,8-9,12,14-15H2,1-2H3,(H,23,29)
InChIKeyPDTCUBMDFDGYNY-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.82
Rot. Bonds5

About N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide

N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide (PubChem CID 167767779) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide
PubChem CID167767779
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide
SMILESCN1CCN(Cc2ccccc2)C(CNC(=O)c2cc(O)c3cnn(C)c3c2)C1
InChIInChI=1S/C22H27N5O2/c1-25-8-9-27(14-16-6-4-3-5-7-16)18(15-25)12-23-22(29)17-10-20-19(21(28)11-17)13-24-26(20)2/h3-7,10-11,13,18,28H,8-9,12,14-15H2,1-2H3,(H,23,29)
InChIKeyPDTCUBMDFDGYNY-UHFFFAOYSA-N
XLogP1.82
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-5-chloro-2-ethoxybenzamide
CID 10093394
N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide
CID 86801413
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
CID 60595175
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 91920575
N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 97069938
N-[[(3S)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 164640988
methyl 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzoate
CID 80505658
N-[[(3R)-4-benzylthiomorpholin-3-yl]methyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 100633586
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium
CID 161247983

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide?
The IUPAC name of N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide (CID 167767779) is N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide.
What is the SMILES notation for N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide?
The canonical SMILES for N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide is CN1CCN(Cc2ccccc2)C(CNC(=O)c2cc(O)c3cnn(C)c3c2)C1.
What is the InChIKey of N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide?
The InChIKey is PDTCUBMDFDGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-25-8-9-27(14-16-6-4-3-5-7-16)18(15-25)12-23-22(29)17-10-20-19(21(28)11-17)13-24-26(20)2/h3-7,10-11,13,18,28H,8-9,12,14-15H2,1-2H3,(H,23,29).
What are the key properties of N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide?
N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide is sourced from PubChem (CID 167767779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).