N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

C23H19N7O3 — CID 53318958

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESc1cnc(NCc2ccc3[nH]ncc3c2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1
InChIInChI=1S/C23H19N7O3/c1-2-17(21(24-7-1)25-12-14-3-5-18-15(10-14)13-26-28-18)22-29-30-23(33-22)27-16-4-6-19-20(11-16)32-9-8-31-19/h1-7,10-11,13H,8-9,12H2,(H,24,25)(H,26,28)(H,27,30)
InChIKeyXSLTXDDPGLKZEV-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.13
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 53318958) has the molecular formula C23H19N7O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID53318958
Molecular FormulaC23H19N7O3
Molecular Weight441.45 g/mol
Exact Mass441.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESc1cnc(NCc2ccc3[nH]ncc3c2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1
InChIInChI=1S/C23H19N7O3/c1-2-17(21(24-7-1)25-12-14-3-5-18-15(10-14)13-26-28-18)22-29-30-23(33-22)27-16-4-6-19-20(11-16)32-9-8-31-19/h1-7,10-11,13H,8-9,12H2,(H,24,25)(H,26,28)(H,27,30)
InChIKeyXSLTXDDPGLKZEV-UHFFFAOYSA-N
XLogP4.13
TPSA123.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 53318958) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is c1cnc(NCc2ccc3[nH]ncc3c2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XSLTXDDPGLKZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O3/c1-2-17(21(24-7-1)25-12-14-3-5-18-15(10-14)13-26-28-18)22-29-30-23(33-22)27-16-4-6-19-20(11-16)32-9-8-31-19/h1-7,10-11,13H,8-9,12H2,(H,24,25)(H,26,28)(H,27,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 441.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1H-indazol-5-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 53318958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).