1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine

C69H70N10O3 — CID 157206110

IUPAC1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
SMILESNCCCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.NCCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.c1ccc(COc2cccc(-c3cc4cnccc4[nH]3)c2)cc1
InChIInChI=1S/C25H28N4O.C24H26N4O.C20H16N2O/c26-13-5-2-6-15-29-17-22(24-23(29)12-14-28-25(24)27)20-10-7-11-21(16-20)30-18-19-8-3-1-4-9-19;25-12-4-5-14-28-16-21(23-22(28)11-13-27-24(23)26)19-9-6-10-20(15-19)29-17-18-7-2-1-3-8-18;1-2-5-15(6-3-1)14-23-18-8-4-7-16(11-18)20-12-17-13-21-10-9-19(17)22-20/h1,3-4,7-12,14,16-17H,2,5-6,13,15,18,26H2,(H2,27,28);1-3,6-11,13,15-16H,4-5,12,14,17,25H2,(H2,26,27);1-13,22H,14H2
InChIKeyARJNAXYXIFFTDL-UHFFFAOYSA-N
MW1087.39 g/mol
LogP14.41
Rot. Bonds21

About 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine

1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 157206110) has the molecular formula C69H70N10O3 and a molecular weight of 1087.39 g/mol. Its IUPAC name is 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
PubChem CID157206110
Molecular FormulaC69H70N10O3
Molecular Weight1087.39 g/mol
Exact Mass1086.56
IUPAC Name1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
SMILESNCCCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.NCCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.c1ccc(COc2cccc(-c3cc4cnccc4[nH]3)c2)cc1
InChIInChI=1S/C25H28N4O.C24H26N4O.C20H16N2O/c26-13-5-2-6-15-29-17-22(24-23(29)12-14-28-25(24)27)20-10-7-11-21(16-20)30-18-19-8-3-1-4-9-19;25-12-4-5-14-28-16-21(23-22(28)11-13-27-24(23)26)19-9-6-10-20(15-19)29-17-18-7-2-1-3-8-18;1-2-5-15(6-3-1)14-23-18-8-4-7-16(11-18)20-12-17-13-21-10-9-19(17)22-20/h1,3-4,7-12,14,16-17H,2,5-6,13,15,18,26H2,(H2,27,28);1-3,6-11,13,15-16H,4-5,12,14,17,25H2,(H2,26,27);1-13,22H,14H2
InChIKeyARJNAXYXIFFTDL-UHFFFAOYSA-N
XLogP14.41
TPSA196.09 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.39
LogP ≤ 514.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine (CID 157206110) is 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine is NCCCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.NCCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.c1ccc(COc2cccc(-c3cc4cnccc4[nH]3)c2)cc1.
What is the InChIKey of 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is ARJNAXYXIFFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.C24H26N4O.C20H16N2O/c26-13-5-2-6-15-29-17-22(24-23(29)12-14-28-25(24)27)20-10-7-11-21(16-20)30-18-19-8-3-1-4-9-19;25-12-4-5-14-28-16-21(23-22(28)11-13-27-24(23)26)19-9-6-10-20(15-19)29-17-18-7-2-1-3-8-18;1-2-5-15(6-3-1)14-23-18-8-4-7-16(11-18)20-12-17-13-21-10-9-19(17)22-20/h1,3-4,7-12,14,16-17H,2,5-6,13,15,18,26H2,(H2,27,28);1-3,6-11,13,15-16H,4-5,12,14,17,25H2,(H2,26,27);1-13,22H,14H2.
What are the key properties of 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine?
1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 1087.39 g/mol, XLogP of 14.41, 21 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;1-(5-aminopentyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine;2-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 157206110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).