methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate

C24H22N2O2 — CID 143138094

IUPACmethyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCCn1c(C(=O)OC)cc2c(-c3cccc(-c4ccccc4)c3)cncc21
InChIInChI=1S/C24H22N2O2/c1-3-12-26-22(24(27)28-2)14-20-21(15-25-16-23(20)26)19-11-7-10-18(13-19)17-8-5-4-6-9-17/h4-11,13-16H,3,12H2,1-2H3
InChIKeyRMQREWQTTCXFRN-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.57
Rot. Bonds5

About methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate

methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 143138094) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID143138094
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Namemethyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCCn1c(C(=O)OC)cc2c(-c3cccc(-c4ccccc4)c3)cncc21
InChIInChI=1S/C24H22N2O2/c1-3-12-26-22(24(27)28-2)14-20-21(15-25-16-23(20)26)19-11-7-10-18(13-19)17-8-5-4-6-9-17/h4-11,13-16H,3,12H2,1-2H3
InChIKeyRMQREWQTTCXFRN-UHFFFAOYSA-N
XLogP5.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 159783931
methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate
CID 69486162
methyl 1-benzyl-4-hydroxyindole-2-carboxylate
CID 18522126
methyl 1-benzyl-4-(2-hydroxyethoxy)indole-2-carboxylate
CID 18522132
1-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]ethanone
CID 134168340
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 5-ethyl-1-propylpyrrole-2-carboxylate
CID 100792535
methyl 3-(3-aminophenyl)-1-methylindole-6-carboxylate
CID 170838821
methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate
CID 141024151
tert-butyl 3-(3-phenylphenyl)indole-1-carboxylate
CID 150096513
3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine
CID 58924974
methyl 3-methyl-2-[2-(3-phenylphenyl)phenyl]benzoate
CID 154647076

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate (CID 143138094) is methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate is CCCn1c(C(=O)OC)cc2c(-c3cccc(-c4ccccc4)c3)cncc21.
What is the InChIKey of methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is RMQREWQTTCXFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-12-26-22(24(27)28-2)14-20-21(15-25-16-23(20)26)19-11-7-10-18(13-19)17-8-5-4-6-9-17/h4-11,13-16H,3,12H2,1-2H3.
What are the key properties of methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate?
methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-phenylphenyl)-1-propylpyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 143138094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).