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

C24H24ClN5 — CID 86291841

IUPACN-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C24H24ClN5/c25-21-15-29-23(28-14-16-4-2-1-3-5-16)13-19(21)18-8-11-27-24-20(18)12-22(30-24)17-6-9-26-10-7-17/h1-5,8,11-13,15,17,26H,6-7,9-10,14H2,(H,27,30)(H,28,29)
InChIKeyNJCLIBSGAOCZBH-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.36
Rot. Bonds5

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

N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86291841) has the molecular formula C24H24ClN5 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86291841
Molecular FormulaC24H24ClN5
Molecular Weight417.94 g/mol
Exact Mass417.17
IUPAC NameN-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C24H24ClN5/c25-21-15-29-23(28-14-16-4-2-1-3-5-16)13-19(21)18-8-11-27-24-20(18)12-22(30-24)17-6-9-26-10-7-17/h1-5,8,11-13,15,17,26H,6-7,9-10,14H2,(H,27,30)(H,28,29)
InChIKeyNJCLIBSGAOCZBH-UHFFFAOYSA-N
XLogP5.36
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86291841) is N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is Clc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(C3CCNCC3)cc12.
What is the InChIKey of N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is NJCLIBSGAOCZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5/c25-21-15-29-23(28-14-16-4-2-1-3-5-16)13-19(21)18-8-11-27-24-20(18)12-22(30-24)17-6-9-26-10-7-17/h1-5,8,11-13,15,17,26H,6-7,9-10,14H2,(H,27,30)(H,28,29).
What are the key properties of N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 417.94 g/mol, XLogP of 5.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86291841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).