5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

C25H27N5 — CID 150681530

IUPAC5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESC[C@@H](c1ccccc1)c1ccc(N)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C25H27N5/c1-16(17-5-3-2-4-6-17)19-7-8-23(26)30-24(19)20-11-14-28-25-21(20)15-22(29-25)18-9-12-27-13-10-18/h2-8,11,14-16,18,27H,9-10,12-13H2,1H3,(H2,26,30)(H,28,29)/t16-/m0/s1
InChIKeyJHYYHHJHUSNCHK-INIZCTEOSA-N
MW397.53 g/mol
LogP4.83
Rot. Bonds4

About 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 150681530) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID150681530
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESC[C@@H](c1ccccc1)c1ccc(N)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C25H27N5/c1-16(17-5-3-2-4-6-17)19-7-8-23(26)30-24(19)20-11-14-28-25-21(20)15-22(29-25)18-9-12-27-13-10-18/h2-8,11,14-16,18,27H,9-10,12-13H2,1H3,(H2,26,30)(H,28,29)/t16-/m0/s1
InChIKeyJHYYHHJHUSNCHK-INIZCTEOSA-N
XLogP4.83
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 150681530) is 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is C[C@@H](c1ccccc1)c1ccc(N)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12.
What is the InChIKey of 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is JHYYHHJHUSNCHK-INIZCTEOSA-N. The full InChI is InChI=1S/C25H27N5/c1-16(17-5-3-2-4-6-17)19-7-8-23(26)30-24(19)20-11-14-28-25-21(20)15-22(29-25)18-9-12-27-13-10-18/h2-8,11,14-16,18,27H,9-10,12-13H2,1H3,(H2,26,30)(H,28,29)/t16-/m0/s1.
What are the key properties of 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 397.53 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 150681530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).