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

C23H22ClN5O — CID 86292048

IUPACN-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CNCCO3)cc12
InChIInChI=1S/C23H22ClN5O/c24-18-6-7-21(27-13-15-4-2-1-3-5-15)29-22(18)16-8-9-26-23-17(16)12-19(28-23)20-14-25-10-11-30-20/h1-9,12,20,25H,10-11,13-14H2,(H,26,28)(H,27,29)
InChIKeyGGBKATFFMXOZIU-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.55
Rot. Bonds5

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

N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86292048) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86292048
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC NameN-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CNCCO3)cc12
InChIInChI=1S/C23H22ClN5O/c24-18-6-7-21(27-13-15-4-2-1-3-5-15)29-22(18)16-8-9-26-23-17(16)12-19(28-23)20-14-25-10-11-30-20/h1-9,12,20,25H,10-11,13-14H2,(H,26,28)(H,27,29)
InChIKeyGGBKATFFMXOZIU-UHFFFAOYSA-N
XLogP4.55
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86292048) is N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CNCCO3)cc12.
What is the InChIKey of N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is GGBKATFFMXOZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c24-18-6-7-21(27-13-15-4-2-1-3-5-15)29-22(18)16-8-9-26-23-17(16)12-19(28-23)20-14-25-10-11-30-20/h1-9,12,20,25H,10-11,13-14H2,(H,26,28)(H,27,29).
What are the key properties of N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 419.92 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-6-(2-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86292048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).