N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide

C20H23N5O3S — CID 70167625

IUPACN-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide
SMILESNCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C20H23N5O3S/c21-13-14-9-11-25(12-10-14)29(27,28)16-7-5-15(6-8-16)22-20(26)19-17-3-1-2-4-18(17)23-24-19/h1-8,14H,9-13,21H2,(H,22,26)(H,23,24)
InChIKeyHOXFJAPDFPOLTP-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.17
Rot. Bonds5

About N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide

N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide (PubChem CID 70167625) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide
PubChem CID70167625
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide
SMILESNCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C20H23N5O3S/c21-13-14-9-11-25(12-10-14)29(27,28)16-7-5-15(6-8-16)22-20(26)19-17-3-1-2-4-18(17)23-24-19/h1-8,14H,9-13,21H2,(H,22,26)(H,23,24)
InChIKeyHOXFJAPDFPOLTP-UHFFFAOYSA-N
XLogP2.17
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide;formic acid
CID 86758801
tert-butyl N-[[1-[4-(1H-indazole-3-carbonylamino)phenyl]sulfonylpiperidin-4-yl]methyl]carbamate
CID 70000692
N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide
CID 26876723
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 51129949
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 17471128
N-(2-amino-1-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 106737709
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
CID 2103773
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
butyl 4-(1H-indazole-3-carbonylamino)benzoate
CID 16866357

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide (CID 70167625) is N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide is NCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide?
The InChIKey is HOXFJAPDFPOLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c21-13-14-9-11-25(12-10-14)29(27,28)16-7-5-15(6-8-16)22-20(26)19-17-3-1-2-4-18(17)23-24-19/h1-8,14H,9-13,21H2,(H,22,26)(H,23,24).
What are the key properties of N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide?
N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 70167625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).