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

C25H26N4O — CID 59765121

IUPAC1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESNCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccc32)C1
InChIInChI=1S/C25H26N4O/c26-14-18-11-20(12-18)29-15-22(24-23(29)9-10-28-25(24)27)19-7-4-8-21(13-19)30-16-17-5-2-1-3-6-17/h1-10,13,15,18,20H,11-12,14,16,26H2,(H2,27,28)
InChIKeyZUOGJYYKFOWIHD-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.77
Rot. Bonds6

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

1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 59765121) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID59765121
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESNCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccc32)C1
InChIInChI=1S/C25H26N4O/c26-14-18-11-20(12-18)29-15-22(24-23(29)9-10-28-25(24)27)19-7-4-8-21(13-19)30-16-17-5-2-1-3-6-17/h1-10,13,15,18,20H,11-12,14,16,26H2,(H2,27,28)
InChIKeyZUOGJYYKFOWIHD-UHFFFAOYSA-N
XLogP4.77
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (CID 59765121) is 1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is NCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccc32)C1.
What is the InChIKey of 1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is ZUOGJYYKFOWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c26-14-18-11-20(12-18)29-15-22(24-23(29)9-10-28-25(24)27)19-7-4-8-21(13-19)30-16-17-5-2-1-3-6-17/h1-10,13,15,18,20H,11-12,14,16,26H2,(H2,27,28).
What are the key properties of 1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 398.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)cyclobutyl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 59765121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).