1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid

C19H20N4O5 — CID 141331062

IUPAC1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2ccc(Oc3ncc(NC(=O)OC(C)(C)C)cn3)cc21
InChIInChI=1S/C19H20N4O5/c1-19(2,3)28-18(26)22-12-9-20-17(21-10-12)27-13-6-5-11-7-15(16(24)25)23(4)14(11)8-13/h5-10H,1-4H3,(H,22,26)(H,24,25)
InChIKeyWLMSLAVOAHNOOT-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.81
Rot. Bonds4

About 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid

1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid (PubChem CID 141331062) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid
PubChem CID141331062
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2ccc(Oc3ncc(NC(=O)OC(C)(C)C)cn3)cc21
InChIInChI=1S/C19H20N4O5/c1-19(2,3)28-18(26)22-12-9-20-17(21-10-12)27-13-6-5-11-7-15(16(24)25)23(4)14(11)8-13/h5-10H,1-4H3,(H,22,26)(H,24,25)
InChIKeyWLMSLAVOAHNOOT-UHFFFAOYSA-N
XLogP3.81
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid with MolForge

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Related Compounds

1-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]indole-5-carboxylic acid
CID 58408799
3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid
CID 155896659
tert-butyl 4-[1-methyl-6-[[5-[[2-methyl-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]oxy]indole-2-carbonyl]piperazine-1-carboxylate
CID 68750987
[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-2-yl]oxyboronic acid
CID 66909060
tert-butyl N-[3-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 57334481
tert-butyl N-[(2R)-1-[[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamate
CID 70975813
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
tert-butyl N-[3-(5-hydroxypentyl)-5-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxyphenyl]carbamate
CID 175984305
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103
tert-butyl N-(5-methylfuran-3-yl)carbamate
CID 130056498
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
CID 167499959

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid?
The IUPAC name of 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid (CID 141331062) is 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid?
The canonical SMILES for 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid is Cn1c(C(=O)O)cc2ccc(Oc3ncc(NC(=O)OC(C)(C)C)cn3)cc21.
What is the InChIKey of 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid?
The InChIKey is WLMSLAVOAHNOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-19(2,3)28-18(26)22-12-9-20-17(21-10-12)27-13-6-5-11-7-15(16(24)25)23(4)14(11)8-13/h5-10H,1-4H3,(H,22,26)(H,24,25).
What are the key properties of 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid?
1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid has a molecular weight of 384.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid is sourced from PubChem (CID 141331062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).