methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate

C28H25N5O4 — CID 10767539

IUPACmethyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)Cc1ccc(-n3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C
InChIInChI=1S/C28H25N5O4/c1-17-30-22-15-29-13-12-23(22)33(17)19-10-8-18(9-11-19)14-25(34)21-16-32(28(36)31(2)3)24-7-5-6-20(26(21)24)27(35)37-4/h5-13,15-16H,14H2,1-4H3
InChIKeyJEFFHIFMRKLZCR-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.43
Rot. Bonds5

About methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate

methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate (PubChem CID 10767539) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate
PubChem CID10767539
Molecular FormulaC28H25N5O4
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC Namemethyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)Cc1ccc(-n3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C
InChIInChI=1S/C28H25N5O4/c1-17-30-22-15-29-13-12-23(22)33(17)19-10-8-18(9-11-19)14-25(34)21-16-32(28(36)31(2)3)24-7-5-6-20(26(21)24)27(35)37-4/h5-13,15-16H,14H2,1-4H3
InChIKeyJEFFHIFMRKLZCR-UHFFFAOYSA-N
XLogP4.43
TPSA99.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate?
The IUPAC name of methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate (CID 10767539) is methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate.
What is the SMILES notation for methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate?
The canonical SMILES for methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate is COC(=O)c1cccc2c1c(C(=O)Cc1ccc(-n3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C.
What is the InChIKey of methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate?
The InChIKey is JEFFHIFMRKLZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4/c1-17-30-22-15-29-13-12-23(22)33(17)19-10-8-18(9-11-19)14-25(34)21-16-32(28(36)31(2)3)24-7-5-6-20(26(21)24)27(35)37-4/h5-13,15-16H,14H2,1-4H3.
What are the key properties of methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate?
methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate has a molecular weight of 495.54 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(dimethylcarbamoyl)-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]acetyl]indole-4-carboxylate is sourced from PubChem (CID 10767539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).