N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

C25H28N6O3S — CID 155530525

IUPACN-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CNc1ccc2[nH]nc(-c3ccc(OC4CCNCC4)nc3)c2c1
InChIInChI=1S/C25H28N6O3S/c1-35(32,33)31-22-5-3-2-4-17(22)15-27-19-7-8-23-21(14-19)25(30-29-23)18-6-9-24(28-16-18)34-20-10-12-26-13-11-20/h2-9,14,16,20,26-27,31H,10-13,15H2,1H3,(H,29,30)
InChIKeyCUCCIYZXKNIALL-UHFFFAOYSA-N
MW492.61 g/mol
LogP3.74
Rot. Bonds8

About N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 155530525) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
PubChem CID155530525
Molecular FormulaC25H28N6O3S
Molecular Weight492.61 g/mol
Exact Mass492.19
IUPAC NameN-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CNc1ccc2[nH]nc(-c3ccc(OC4CCNCC4)nc3)c2c1
InChIInChI=1S/C25H28N6O3S/c1-35(32,33)31-22-5-3-2-4-17(22)15-27-19-7-8-23-21(14-19)25(30-29-23)18-6-9-24(28-16-18)34-20-10-12-26-13-11-20/h2-9,14,16,20,26-27,31H,10-13,15H2,1H3,(H,29,30)
InChIKeyCUCCIYZXKNIALL-UHFFFAOYSA-N
XLogP3.74
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (CID 155530525) is N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1CNc1ccc2[nH]nc(-c3ccc(OC4CCNCC4)nc3)c2c1.
What is the InChIKey of N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is CUCCIYZXKNIALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-35(32,33)31-22-5-3-2-4-17(22)15-27-19-7-8-23-21(14-19)25(30-29-23)18-6-9-24(28-16-18)34-20-10-12-26-13-11-20/h2-9,14,16,20,26-27,31H,10-13,15H2,1H3,(H,29,30).
What are the key properties of N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide has a molecular weight of 492.61 g/mol, XLogP of 3.74, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 155530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).