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

C24H24ClN5 — CID 86292236

IUPACN-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1cnc2[nH]c(C3CCCNC3)cc2c1-c1cccc(NCc2ccccc2)n1
InChIInChI=1S/C24H24ClN5/c25-19-15-28-24-18(12-21(30-24)17-8-5-11-26-14-17)23(19)20-9-4-10-22(29-20)27-13-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,15,17,26H,5,8,11,13-14H2,(H,27,29)(H,28,30)
InChIKeyXGHGQKIHOZHNQX-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.36
Rot. Bonds5

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

N-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86292236) has the molecular formula C24H24ClN5 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86292236
Molecular FormulaC24H24ClN5
Molecular Weight417.94 g/mol
Exact Mass417.17
IUPAC NameN-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1cnc2[nH]c(C3CCCNC3)cc2c1-c1cccc(NCc2ccccc2)n1
InChIInChI=1S/C24H24ClN5/c25-19-15-28-24-18(12-21(30-24)17-8-5-11-26-14-17)23(19)20-9-4-10-22(29-20)27-13-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,15,17,26H,5,8,11,13-14H2,(H,27,29)(H,28,30)
InChIKeyXGHGQKIHOZHNQX-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-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86292236) is N-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is Clc1cnc2[nH]c(C3CCCNC3)cc2c1-c1cccc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is XGHGQKIHOZHNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5/c25-19-15-28-24-18(12-21(30-24)17-8-5-11-26-14-17)23(19)20-9-4-10-22(29-20)27-13-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,15,17,26H,5,8,11,13-14H2,(H,27,29)(H,28,30).
What are the key properties of N-benzyl-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
N-benzyl-6-(5-chloro-2-piperidin-3-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-6-(5-chloro-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86292236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).