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

C27H32N4O — CID 143316050

IUPAC1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCCC(CN)CC(C)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21
InChIInChI=1S/C27H32N4O/c1-3-20(16-28)14-19(2)31-17-24(26-25(31)12-13-30-27(26)29)22-10-7-11-23(15-22)32-18-21-8-5-4-6-9-21/h4-13,15,17,19-20H,3,14,16,18,28H2,1-2H3,(H2,29,30)
InChIKeyVBDWVGXIBIGKGX-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.80
Rot. Bonds9

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

1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 143316050) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID143316050
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCCC(CN)CC(C)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21
InChIInChI=1S/C27H32N4O/c1-3-20(16-28)14-19(2)31-17-24(26-25(31)12-13-30-27(26)29)22-10-7-11-23(15-22)32-18-21-8-5-4-6-9-21/h4-13,15,17,19-20H,3,14,16,18,28H2,1-2H3,(H2,29,30)
InChIKeyVBDWVGXIBIGKGX-UHFFFAOYSA-N
XLogP5.80
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nvp-aew541
CID 11476171
Nvp-adw742
CID 9825149
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
7-(3-(azetidin-1-yl)cyclobutyl)-5-(3-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 45270897
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]pyridin-2-amine
CID 20744789
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-ethylpyridin-2-amine
CID 23646992
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-cyclopropylpyridin-2-amine
CID 23646993
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-benzylpyridin-2-amine
CID 23646994
7-[3-(Azetidin-1-Ylmethyl)cyclobutyl]-5-[3-[[(2~{r})-Oxan-2-Yl]methoxy]phenyl]pyrrolo[2,3-D]pyrimidin-4-Amine
CID 67035535
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (CID 143316050) is 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is CCC(CN)CC(C)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.
What is the InChIKey of 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is VBDWVGXIBIGKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-3-20(16-28)14-19(2)31-17-24(26-25(31)12-13-30-27(26)29)22-10-7-11-23(15-22)32-18-21-8-5-4-6-9-21/h4-13,15,17,19-20H,3,14,16,18,28H2,1-2H3,(H2,29,30).
What are the key properties of 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 428.58 g/mol, XLogP of 5.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)hexan-2-yl]-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 143316050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).