1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine

C19H22N4O — CID 59765128

IUPAC1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1cccc(-c2cn(C3CC(CN)C3)c3cc(N)ncc23)c1
InChIInChI=1S/C19H22N4O/c1-24-15-4-2-3-13(7-15)17-11-23(14-5-12(6-14)9-20)18-8-19(21)22-10-16(17)18/h2-4,7-8,10-12,14H,5-6,9,20H2,1H3,(H2,21,22)
InChIKeyLKPDBSJNVODWAL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.20
Rot. Bonds4

About 1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine

1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 59765128) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
PubChem CID59765128
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1cccc(-c2cn(C3CC(CN)C3)c3cc(N)ncc23)c1
InChIInChI=1S/C19H22N4O/c1-24-15-4-2-3-13(7-15)17-11-23(14-5-12(6-14)9-20)18-8-19(21)22-10-16(17)18/h2-4,7-8,10-12,14H,5-6,9,20H2,1H3,(H2,21,22)
InChIKeyLKPDBSJNVODWAL-UHFFFAOYSA-N
XLogP3.20
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.20
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-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine (CID 59765128) is 1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine is COc1cccc(-c2cn(C3CC(CN)C3)c3cc(N)ncc23)c1.
What is the InChIKey of 1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is LKPDBSJNVODWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-15-4-2-3-13(7-15)17-11-23(14-5-12(6-14)9-20)18-8-19(21)22-10-16(17)18/h2-4,7-8,10-12,14H,5-6,9,20H2,1H3,(H2,21,22).
What are the key properties of 1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine?
1-[3-(aminomethyl)cyclobutyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 322.41 g/mol, XLogP of 3.20, 4 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-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 59765128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).