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

C23H25N5O2S — CID 22607182

IUPACN-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1[nH]nc2ccc(-c3cncc(N(CC(N)Cc4ccccc4)S(C)(=O)=O)c3)cc12
InChIInChI=1S/C23H25N5O2S/c1-16-22-12-18(8-9-23(22)27-26-16)19-11-21(14-25-13-19)28(31(2,29)30)15-20(24)10-17-6-4-3-5-7-17/h3-9,11-14,20H,10,15,24H2,1-2H3,(H,26,27)
InChIKeyGPQVPNJGROTOMM-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.27
Rot. Bonds7

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

N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 22607182) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide
PubChem CID22607182
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1[nH]nc2ccc(-c3cncc(N(CC(N)Cc4ccccc4)S(C)(=O)=O)c3)cc12
InChIInChI=1S/C23H25N5O2S/c1-16-22-12-18(8-9-23(22)27-26-16)19-11-21(14-25-13-19)28(31(2,29)30)15-20(24)10-17-6-4-3-5-7-17/h3-9,11-14,20H,10,15,24H2,1-2H3,(H,26,27)
InChIKeyGPQVPNJGROTOMM-UHFFFAOYSA-N
XLogP3.27
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide (CID 22607182) is N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide is Cc1[nH]nc2ccc(-c3cncc(N(CC(N)Cc4ccccc4)S(C)(=O)=O)c3)cc12.
What is the InChIKey of N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is GPQVPNJGROTOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-16-22-12-18(8-9-23(22)27-26-16)19-11-21(14-25-13-19)28(31(2,29)30)15-20(24)10-17-6-4-3-5-7-17/h3-9,11-14,20H,10,15,24H2,1-2H3,(H,26,27).
What are the key properties of N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide?
N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-phenylpropyl)-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 22607182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).