N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide

C23H26N4O4 — CID 136601524

IUPACN-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide
SMILESCCNC(=O)C1c2ccccc2CN1C(=O)c1cc2c(COC(C)C)[nH]nc2cc1O
InChIInChI=1S/C23H26N4O4/c1-4-24-22(29)21-15-8-6-5-7-14(15)11-27(21)23(30)17-9-16-18(10-20(17)28)25-26-19(16)12-31-13(2)3/h5-10,13,21,28H,4,11-12H2,1-3H3,(H,24,29)(H,25,26)
InChIKeySGYBTPZIDDBVLS-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.03
Rot. Bonds6

About N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide

N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide (PubChem CID 136601524) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide
PubChem CID136601524
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide
SMILESCCNC(=O)C1c2ccccc2CN1C(=O)c1cc2c(COC(C)C)[nH]nc2cc1O
InChIInChI=1S/C23H26N4O4/c1-4-24-22(29)21-15-8-6-5-7-14(15)11-27(21)23(30)17-9-16-18(10-20(17)28)25-26-19(16)12-31-13(2)3/h5-10,13,21,28H,4,11-12H2,1-3H3,(H,24,29)(H,25,26)
InChIKeySGYBTPZIDDBVLS-UHFFFAOYSA-N
XLogP3.03
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide?
The IUPAC name of N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide (CID 136601524) is N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide?
The canonical SMILES for N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide is CCNC(=O)C1c2ccccc2CN1C(=O)c1cc2c(COC(C)C)[nH]nc2cc1O.
What is the InChIKey of N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide?
The InChIKey is SGYBTPZIDDBVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-4-24-22(29)21-15-8-6-5-7-14(15)11-27(21)23(30)17-9-16-18(10-20(17)28)25-26-19(16)12-31-13(2)3/h5-10,13,21,28H,4,11-12H2,1-3H3,(H,24,29)(H,25,26).
What are the key properties of N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide?
N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazole-5-carbonyl]-1,3-dihydroisoindole-1-carboxamide is sourced from PubChem (CID 136601524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).