methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C34H33N3O5 — CID 146634405

IUPACmethyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(C4COCCO4)cc3OC)cc12
InChIInChI=1S/C34H33N3O5/c1-39-30-17-25(31-22-41-15-16-42-31)13-14-26(30)29-18-27-28(34(38)40-2)19-35-33(32(27)36-29)37(20-23-9-5-3-6-10-23)21-24-11-7-4-8-12-24/h3-14,17-19,31,36H,15-16,20-22H2,1-2H3
InChIKeyUYQQEHBDNNRRGK-UHFFFAOYSA-N
MW563.65 g/mol
LogP6.32
Rot. Bonds9

About methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146634405) has the molecular formula C34H33N3O5 and a molecular weight of 563.65 g/mol. Its IUPAC name is methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146634405
Molecular FormulaC34H33N3O5
Molecular Weight563.65 g/mol
Exact Mass563.24
IUPAC Namemethyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(C4COCCO4)cc3OC)cc12
InChIInChI=1S/C34H33N3O5/c1-39-30-17-25(31-22-41-15-16-42-31)13-14-26(30)29-18-27-28(34(38)40-2)19-35-33(32(27)36-29)37(20-23-9-5-3-6-10-23)21-24-11-7-4-8-12-24/h3-14,17-19,31,36H,15-16,20-22H2,1-2H3
InChIKeyUYQQEHBDNNRRGK-UHFFFAOYSA-N
XLogP6.32
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.65
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592201
7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592215
2-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-7-(cyclopropanecarbonylamino)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592217
7-(cyclopropanecarbonylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592287
7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592289
7-(cyclopropanecarbonylamino)-2-[2-[(2R)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146634303
7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146634573
Ethyl 4-[2-[1-(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)benzimidazol-2-yl]ethylamino]-6-methoxyquinoline-3-carboxylate
CID 2791895
methyl 2-[3-[(2-fluorophenyl)methoxy]-5-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 16063083
methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 66775831
methyl 7-(dibenzylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146634520
7-(dibenzylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146634537

Frequently Asked Questions

What is the IUPAC name of methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146634405) is methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(C4COCCO4)cc3OC)cc12.
What is the InChIKey of methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is UYQQEHBDNNRRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O5/c1-39-30-17-25(31-22-41-15-16-42-31)13-14-26(30)29-18-27-28(34(38)40-2)19-35-33(32(27)36-29)37(20-23-9-5-3-6-10-23)21-24-11-7-4-8-12-24/h3-14,17-19,31,36H,15-16,20-22H2,1-2H3.
What are the key properties of methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 563.65 g/mol, XLogP of 6.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(dibenzylamino)-2-[4-(1,4-dioxan-2-yl)-2-methoxyphenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146634405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).