1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine

C23H24N4O — CID 59765102

IUPAC1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESNCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21
InChIInChI=1S/C23H24N4O/c24-11-5-13-27-15-20(22-21(27)10-12-26-23(22)25)18-8-4-9-19(14-18)28-16-17-6-2-1-3-7-17/h1-4,6-10,12,14-15H,5,11,13,16,24H2,(H2,25,26)
InChIKeyXPZNGSMUXMLHRA-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.21
Rot. Bonds7

About 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine

1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 59765102) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID59765102
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESNCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21
InChIInChI=1S/C23H24N4O/c24-11-5-13-27-15-20(22-21(27)10-12-26-23(22)25)18-8-4-9-19(14-18)28-16-17-6-2-1-3-7-17/h1-4,6-10,12,14-15H,5,11,13,16,24H2,(H2,25,26)
InChIKeyXPZNGSMUXMLHRA-UHFFFAOYSA-N
XLogP4.21
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (CID 59765102) is 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is NCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.
What is the InChIKey of 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is XPZNGSMUXMLHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c24-11-5-13-27-15-20(22-21(27)10-12-26-23(22)25)18-8-4-9-19(14-18)28-16-17-6-2-1-3-7-17/h1-4,6-10,12,14-15H,5,11,13,16,24H2,(H2,25,26).
What are the key properties of 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 372.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 59765102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).