methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C36H32FN5O2 — CID 146634526

IUPACmethyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4ncc5n4CCCC5)cc3F)cc12
InChIInChI=1S/C36H32FN5O2/c1-44-36(43)30-21-39-35(41(22-24-10-4-2-5-11-24)23-25-12-6-3-7-13-25)33-29(30)19-32(40-33)28-16-15-26(18-31(28)37)34-38-20-27-14-8-9-17-42(27)34/h2-7,10-13,15-16,18-21,40H,8-9,14,17,22-23H2,1H3
InChIKeyJRTVENSUIONVCJ-UHFFFAOYSA-N
MW585.68 g/mol
LogP7.56
Rot. Bonds8

About methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146634526) has the molecular formula C36H32FN5O2 and a molecular weight of 585.68 g/mol. Its IUPAC name is methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146634526
Molecular FormulaC36H32FN5O2
Molecular Weight585.68 g/mol
Exact Mass585.25
IUPAC Namemethyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4ncc5n4CCCC5)cc3F)cc12
InChIInChI=1S/C36H32FN5O2/c1-44-36(43)30-21-39-35(41(22-24-10-4-2-5-11-24)23-25-12-6-3-7-13-25)33-29(30)19-32(40-33)28-16-15-26(18-31(28)37)34-38-20-27-14-8-9-17-42(27)34/h2-7,10-13,15-16,18-21,40H,8-9,14,17,22-23H2,1H3
InChIKeyJRTVENSUIONVCJ-UHFFFAOYSA-N
XLogP7.56
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.68
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146634526) is methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4ncc5n4CCCC5)cc3F)cc12.
What is the InChIKey of methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is JRTVENSUIONVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32FN5O2/c1-44-36(43)30-21-39-35(41(22-24-10-4-2-5-11-24)23-25-12-6-3-7-13-25)33-29(30)19-32(40-33)28-16-15-26(18-31(28)37)34-38-20-27-14-8-9-17-42(27)34/h2-7,10-13,15-16,18-21,40H,8-9,14,17,22-23H2,1H3.
What are the key properties of methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 7-(dibenzylamino)-2-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 585.68 g/mol, XLogP of 7.56, 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-[2-fluoro-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146634526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).