methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C31H28FN5O3 — CID 146635247

IUPACmethyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ncc(C(=O)N(C)C)cc3F)cc12
InChIInChI=1S/C31H28FN5O3/c1-36(2)30(38)22-14-25(32)28(33-16-22)26-15-23-24(31(39)40-3)17-34-29(27(23)35-26)37(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17,35H,18-19H2,1-3H3
InChIKeyGAGZSGCYANWYQH-UHFFFAOYSA-N
MW537.60 g/mol
LogP5.46
Rot. Bonds8

About methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146635247) has the molecular formula C31H28FN5O3 and a molecular weight of 537.60 g/mol. Its IUPAC name is methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146635247
Molecular FormulaC31H28FN5O3
Molecular Weight537.60 g/mol
Exact Mass537.22
IUPAC Namemethyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ncc(C(=O)N(C)C)cc3F)cc12
InChIInChI=1S/C31H28FN5O3/c1-36(2)30(38)22-14-25(32)28(33-16-22)26-15-23-24(31(39)40-3)17-34-29(27(23)35-26)37(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17,35H,18-19H2,1-3H3
InChIKeyGAGZSGCYANWYQH-UHFFFAOYSA-N
XLogP5.46
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.60
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate with MolForge

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Related Compounds

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2-(2-aminopyrimidin-4-yl)-7-[3-(benzyloxy)propyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
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methyl 2-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-methyl-3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146635247) is methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ncc(C(=O)N(C)C)cc3F)cc12.
What is the InChIKey of methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is GAGZSGCYANWYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN5O3/c1-36(2)30(38)22-14-25(32)28(33-16-22)26-15-23-24(31(39)40-3)17-34-29(27(23)35-26)37(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17,35H,18-19H2,1-3H3.
What are the key properties of methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 537.60 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(dibenzylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146635247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).