N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

C21H21N5O3S — CID 155562386

IUPACN-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCOc1cncc(-c2n[nH]c3ccc(NCc4ccccc4NS(C)(=O)=O)cc23)c1
InChIInChI=1S/C21H21N5O3S/c1-29-17-9-15(11-22-13-17)21-18-10-16(7-8-20(18)24-25-21)23-12-14-5-3-4-6-19(14)26-30(2,27)28/h3-11,13,23,26H,12H2,1-2H3,(H,24,25)
InChIKeyKLRHVYIKUMOTHW-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.62
Rot. Bonds7

About N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 155562386) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
PubChem CID155562386
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC NameN-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCOc1cncc(-c2n[nH]c3ccc(NCc4ccccc4NS(C)(=O)=O)cc23)c1
InChIInChI=1S/C21H21N5O3S/c1-29-17-9-15(11-22-13-17)21-18-10-16(7-8-20(18)24-25-21)23-12-14-5-3-4-6-19(14)26-30(2,27)28/h3-11,13,23,26H,12H2,1-2H3,(H,24,25)
InChIKeyKLRHVYIKUMOTHW-UHFFFAOYSA-N
XLogP3.62
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567224
5-cyano-N-[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155482313
2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide
CID 22567097
5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
CID 137111841
2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine
CID 90315398
N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137033934
N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
CID 161073993
N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567135
5-(5-methoxy-3-pyridinyl)-N-(naphthalen-2-ylmethyl)pyridin-3-amine
CID 11588162
5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid
CID 167800698
N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 137109339
4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
CID 23589786

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (CID 155562386) is N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is COc1cncc(-c2n[nH]c3ccc(NCc4ccccc4NS(C)(=O)=O)cc23)c1.
What is the InChIKey of N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is KLRHVYIKUMOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-29-17-9-15(11-22-13-17)21-18-10-16(7-8-20(18)24-25-21)23-12-14-5-3-4-6-19(14)26-30(2,27)28/h3-11,13,23,26H,12H2,1-2H3,(H,24,25).
What are the key properties of N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide has a molecular weight of 423.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 155562386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).