N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

C21H21N5O3S — CID 155556422

IUPACN-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2n[nH]c3ccc(NCc4ccccc4NS(C)(=O)=O)cc23)cn1
InChIInChI=1S/C21H21N5O3S/c1-29-20-10-7-15(13-23-20)21-17-11-16(8-9-19(17)24-25-21)22-12-14-5-3-4-6-18(14)26-30(2,27)28/h3-11,13,22,26H,12H2,1-2H3,(H,24,25)
InChIKeyCGTVBSFHAMSCIG-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.62
Rot. Bonds7

About N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 155556422) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
PubChem CID155556422
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC NameN-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2n[nH]c3ccc(NCc4ccccc4NS(C)(=O)=O)cc23)cn1
InChIInChI=1S/C21H21N5O3S/c1-29-20-10-7-15(13-23-20)21-17-11-16(8-9-19(17)24-25-21)22-12-14-5-3-4-6-18(14)26-30(2,27)28/h3-11,13,22,26H,12H2,1-2H3,(H,24,25)
InChIKeyCGTVBSFHAMSCIG-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (CID 155556422) is N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is COc1ccc(-c2n[nH]c3ccc(NCc4ccccc4NS(C)(=O)=O)cc23)cn1.
What is the InChIKey of N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is CGTVBSFHAMSCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-29-20-10-7-15(13-23-20)21-17-11-16(8-9-19(17)24-25-21)22-12-14-5-3-4-6-18(14)26-30(2,27)28/h3-11,13,22,26H,12H2,1-2H3,(H,24,25).
What are the key properties of N-[2-[[[3-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
N-[2-[[[3-(6-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-(6-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 155556422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).