N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

C25H27N5O — CID 86294529

IUPACN-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESCOc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C25H27N5O/c1-31-22-9-10-23(28-15-17-6-3-2-4-7-17)30-24(22)19-11-13-27-25-20(19)14-21(29-25)18-8-5-12-26-16-18/h2-4,6-7,9-11,13-14,18,26H,5,8,12,15-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyRSSOIIXUGBOALH-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.71
Rot. Bonds6

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

N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86294529) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86294529
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESCOc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C25H27N5O/c1-31-22-9-10-23(28-15-17-6-3-2-4-7-17)30-24(22)19-11-13-27-25-20(19)14-21(29-25)18-8-5-12-26-16-18/h2-4,6-7,9-11,13-14,18,26H,5,8,12,15-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyRSSOIIXUGBOALH-UHFFFAOYSA-N
XLogP4.71
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-methoxy-6-(2-piperidin-3-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 N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86294529) is N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is COc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCCNC3)cc12.
What is the InChIKey of N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is RSSOIIXUGBOALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-31-22-9-10-23(28-15-17-6-3-2-4-7-17)30-24(22)19-11-13-27-25-20(19)14-21(29-25)18-8-5-12-26-16-18/h2-4,6-7,9-11,13-14,18,26H,5,8,12,15-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 413.53 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86294529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).