methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C25H25N5O3 — CID 166552235

IUPACmethyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(C(=O)OC)CC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C25H25N5O3/c1-3-15-12-18(31)5-7-19(15)17-4-6-20-21(13-17)28-29-23(20)24-26-14-22(27-24)16-8-10-30(11-9-16)25(32)33-2/h4-8,12-14,31H,3,9-11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyBDIQVTXRDMHOPO-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.74
Rot. Bonds4

About methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 166552235) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID166552235
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Namemethyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(C(=O)OC)CC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C25H25N5O3/c1-3-15-12-18(31)5-7-19(15)17-4-6-20-21(13-17)28-29-23(20)24-26-14-22(27-24)16-8-10-30(11-9-16)25(32)33-2/h4-8,12-14,31H,3,9-11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyBDIQVTXRDMHOPO-UHFFFAOYSA-N
XLogP4.74
TPSA107.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 166552235) is methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(C(=O)OC)CC4)[nH]3)n[nH]c2c1.
What is the InChIKey of methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is BDIQVTXRDMHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-3-15-12-18(31)5-7-19(15)17-4-6-20-21(13-17)28-29-23(20)24-26-14-22(27-24)16-8-10-30(11-9-16)25(32)33-2/h4-8,12-14,31H,3,9-11H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 443.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 166552235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).