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

C25H27N5 — CID 86292826

IUPACN-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESc1ccc(CCNc2cccc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1
InChIInChI=1S/C25H27N5/c1-2-5-18(6-3-1)9-15-27-24-8-4-7-22(29-24)20-12-16-28-25-21(20)17-23(30-25)19-10-13-26-14-11-19/h1-8,12,16-17,19,26H,9-11,13-15H2,(H,27,29)(H,28,30)
InChIKeySOUOCRDJFLDYDD-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.75
Rot. Bonds6

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

N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86292826) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86292826
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC NameN-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESc1ccc(CCNc2cccc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1
InChIInChI=1S/C25H27N5/c1-2-5-18(6-3-1)9-15-27-24-8-4-7-22(29-24)20-12-16-28-25-21(20)17-23(30-25)19-10-13-26-14-11-19/h1-8,12,16-17,19,26H,9-11,13-15H2,(H,27,29)(H,28,30)
InChIKeySOUOCRDJFLDYDD-UHFFFAOYSA-N
XLogP4.75
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86292826) is N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is c1ccc(CCNc2cccc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1.
What is the InChIKey of N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is SOUOCRDJFLDYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-2-5-18(6-3-1)9-15-27-24-8-4-7-22(29-24)20-12-16-28-25-21(20)17-23(30-25)19-10-13-26-14-11-19/h1-8,12,16-17,19,26H,9-11,13-15H2,(H,27,29)(H,28,30).
What are the key properties of N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
N-(2-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 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86292826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).