6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

C32H37N5O6 — CID 118601742

IUPAC6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(CC(C)O)C3)cc2)c1
InChIInChI=1S/C32H37N5O6/c1-4-41-13-14-42-28-17-27-24(10-12-37(27)32(40)33-3)15-29(28)43-26-9-11-34-30(16-26)35-31(39)23-7-5-22(6-8-23)25-19-36(20-25)18-21(2)38/h5-12,15-17,21,25,38H,4,13-14,18-20H2,1-3H3,(H,33,40)(H,34,35,39)
InChIKeyKMRDTHLEUZBPGS-UHFFFAOYSA-N
MW587.68 g/mol
LogP4.46
Rot. Bonds12

About 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (PubChem CID 118601742) has the molecular formula C32H37N5O6 and a molecular weight of 587.68 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
PubChem CID118601742
Molecular FormulaC32H37N5O6
Molecular Weight587.68 g/mol
Exact Mass587.27
IUPAC Name6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(CC(C)O)C3)cc2)c1
InChIInChI=1S/C32H37N5O6/c1-4-41-13-14-42-28-17-27-24(10-12-37(27)32(40)33-3)15-29(28)43-26-9-11-34-30(16-26)35-31(39)23-7-5-22(6-8-23)25-19-36(20-25)18-21(2)38/h5-12,15-17,21,25,38H,4,13-14,18-20H2,1-3H3,(H,33,40)(H,34,35,39)
InChIKeyKMRDTHLEUZBPGS-UHFFFAOYSA-N
XLogP4.46
TPSA127.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.68
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(3-methoxypropoxy)-N-methylindole-1-carboxamide
CID 118601717
5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
CID 90349008
6-(2-ethoxyethoxy)-5-[[2-[[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90349032
6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 78323433
5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide;propane
CID 145159187
N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
CID 90349017
4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide
CID 90348966
6-methoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 90343905
6-ethyl-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90367870
5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
CID 126762542
N-[4-[6-(3-methoxypropoxy)-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]-4-(1-methylazetidin-3-yl)benzamide
CID 126762310
3-fluoro-4-[4-[[4-[6-methoxy-1-(methylcarbamoyl)indol-5-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylic acid
CID 90342123

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The IUPAC name of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (CID 118601742) is 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.
What is the SMILES notation for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The canonical SMILES for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(CC(C)O)C3)cc2)c1.
What is the InChIKey of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The InChIKey is KMRDTHLEUZBPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O6/c1-4-41-13-14-42-28-17-27-24(10-12-37(27)32(40)33-3)15-29(28)43-26-9-11-34-30(16-26)35-31(39)23-7-5-22(6-8-23)25-19-36(20-25)18-21(2)38/h5-12,15-17,21,25,38H,4,13-14,18-20H2,1-3H3,(H,33,40)(H,34,35,39).
What are the key properties of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide has a molecular weight of 587.68 g/mol, XLogP of 4.46, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is sourced from PubChem (CID 118601742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).