(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate

C34H31ClN2O10 — CID 147207878

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
SMILESCOCC[C@H](C(=O)Cc1ccc2[nH]c(C(=O)OCc3oc(=O)oc3C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O
InChIInChI=1S/C34H31ClN2O10/c1-18(38)23-7-6-22(35)14-24(23)25-15-32(40)37(16-30(25)44-4)28(9-10-43-3)29(39)12-20-5-8-26-21(11-20)13-27(36-26)33(41)45-17-31-19(2)46-34(42)47-31/h5-8,11,13-16,28,36H,9-10,12,17H2,1-4H3/t28-/m1/s1
InChIKeyCEPXTJSFXACHMD-MUUNZHRXSA-N
MW663.08 g/mol
LogP5.46
Rot. Bonds13

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate (PubChem CID 147207878) has the molecular formula C34H31ClN2O10 and a molecular weight of 663.08 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
PubChem CID147207878
Molecular FormulaC34H31ClN2O10
Molecular Weight663.08 g/mol
Exact Mass662.17
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
SMILESCOCC[C@H](C(=O)Cc1ccc2[nH]c(C(=O)OCc3oc(=O)oc3C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O
InChIInChI=1S/C34H31ClN2O10/c1-18(38)23-7-6-22(35)14-24(23)25-15-32(40)37(16-30(25)44-4)28(9-10-43-3)29(39)12-20-5-8-26-21(11-20)13-27(36-26)33(41)45-17-31-19(2)46-34(42)47-31/h5-8,11,13-16,28,36H,9-10,12,17H2,1-4H3/t28-/m1/s1
InChIKeyCEPXTJSFXACHMD-MUUNZHRXSA-N
XLogP5.46
TPSA160.04 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500663.08
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Launch Full Analysis

Related Compounds

2-(4-piperidin-1-ylphenyl)ethyl 5-chloro-3-ethyl-1H-indole-2-carboxylate
CID 60155736
ethyl 6-chloro-3-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylate
CID 155533087
6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-1H-indole-2-carboxylic acid
CID 117622955
2-[4-(dimethylamino)phenyl]ethyl 5-chloro-3-ethyl-1H-indole-2-carboxylate
CID 60155738
ethyl 3-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]-6-chloro-1H-indole-2-carboxylate
CID 155516653
ethyl 6-chloro-3-[(E)-3-[2-(2-chlorophenyl)ethylamino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylate
CID 155554639
5-(4-(tert-butoxy)-2-(4-(5-chloro-2-propionylphenyl)-5-methoxy-2-oxopyridin-1(2H)-yl)butanamido)-1H-indole-2-carboxylic acid
CID 134323385
5-(2-(4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl)-4-methoxybutanamido)-1H-indole-2-carboxylic acid
CID 134323389
(S)-5-(2-(4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl)-4-methoxybutanamido)-1H-indole-2-carboxylic acid
CID 134323708
ethyl 5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-2-carboxylate
CID 10647510
ethyl 6-chloro-3-[(E)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]-1H-indole-2-carboxylate
CID 155534099
(R)-5-(2-(4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl)-4-methoxybutanamido)-1H-indole-2-carboxylic acid
CID 134323709

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate (CID 147207878) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate is COCC[C@H](C(=O)Cc1ccc2[nH]c(C(=O)OCc3oc(=O)oc3C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate?
The InChIKey is CEPXTJSFXACHMD-MUUNZHRXSA-N. The full InChI is InChI=1S/C34H31ClN2O10/c1-18(38)23-7-6-22(35)14-24(23)25-15-32(40)37(16-30(25)44-4)28(9-10-43-3)29(39)12-20-5-8-26-21(11-20)13-27(36-26)33(41)45-17-31-19(2)46-34(42)47-31/h5-8,11,13-16,28,36H,9-10,12,17H2,1-4H3/t28-/m1/s1.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate has a molecular weight of 663.08 g/mol, XLogP of 5.46, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 147207878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).