5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine

C24H24N4O — CID 46207382

IUPAC5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(OCC3CCCC3)c2)c2cccnc21
InChIInChI=1S/C24H24N4O/c25-23-22-21(9-4-12-27-22)24(28-23,18-10-13-26-14-11-18)19-7-3-8-20(15-19)29-16-17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6,16H2,(H2,25,28)
InChIKeyAUEKFSGNDVLKHF-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.06
Rot. Bonds5

About 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine

5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine (PubChem CID 46207382) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
PubChem CID46207382
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(OCC3CCCC3)c2)c2cccnc21
InChIInChI=1S/C24H24N4O/c25-23-22-21(9-4-12-27-22)24(28-23,18-10-13-26-14-11-18)19-7-3-8-20(15-19)29-16-17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6,16H2,(H2,25,28)
InChIKeyAUEKFSGNDVLKHF-UHFFFAOYSA-N
XLogP4.06
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine (CID 46207382) is 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine is NC1=NC(c2ccncc2)(c2cccc(OCC3CCCC3)c2)c2cccnc21.
What is the InChIKey of 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is AUEKFSGNDVLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c25-23-22-21(9-4-12-27-22)24(28-23,18-10-13-26-14-11-18)19-7-3-8-20(15-19)29-16-17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6,16H2,(H2,25,28).
What are the key properties of 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine?
5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 384.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 46207382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).