6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C24H28N4O5 — CID 6723424

IUPAC6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N[C@@H](CO)C(=O)Nc1ccc3cn[nH]c3c1)O2
InChIInChI=1S/C24H28N4O5/c1-12-13(2)21-17(14(3)20(12)30)7-8-24(4,33-21)23(32)27-19(11-29)22(31)26-16-6-5-15-10-25-28-18(15)9-16/h5-6,9-10,19,29-30H,7-8,11H2,1-4H3,(H,25,28)(H,26,31)(H,27,32)/t19-,24?/m0/s1
InChIKeyARCAUKVMZUODSR-XGLRFROISA-N
MW452.51 g/mol
LogP2.39
Rot. Bonds5

About 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 6723424) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID6723424
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N[C@@H](CO)C(=O)Nc1ccc3cn[nH]c3c1)O2
InChIInChI=1S/C24H28N4O5/c1-12-13(2)21-17(14(3)20(12)30)7-8-24(4,33-21)23(32)27-19(11-29)22(31)26-16-6-5-15-10-25-28-18(15)9-16/h5-6,9-10,19,29-30H,7-8,11H2,1-4H3,(H,25,28)(H,26,31)(H,27,32)/t19-,24?/m0/s1
InChIKeyARCAUKVMZUODSR-XGLRFROISA-N
XLogP2.39
TPSA136.57 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide with MolForge

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Related Compounds

N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4576762
N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 6724647
N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide
CID 4174611
N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 3908297
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
1-amino-N-(1H-indazol-6-yl)cyclohexane-1-carboxamide
CID 43710790
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide
CID 99973607
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 6723424) is 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N[C@@H](CO)C(=O)Nc1ccc3cn[nH]c3c1)O2.
What is the InChIKey of 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is ARCAUKVMZUODSR-XGLRFROISA-N. The full InChI is InChI=1S/C24H28N4O5/c1-12-13(2)21-17(14(3)20(12)30)7-8-24(4,33-21)23(32)27-19(11-29)22(31)26-16-6-5-15-10-25-28-18(15)9-16/h5-6,9-10,19,29-30H,7-8,11H2,1-4H3,(H,25,28)(H,26,31)(H,27,32)/t19-,24?/m0/s1.
What are the key properties of 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 2.39, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 6723424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).