N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine

C20H22N4 — CID 163530240

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine
SMILESc1ccc(-n2ccc3cc(N[C@H]4CN5CCC4CC5)cnc32)cc1
InChIInChI=1S/C20H22N4/c1-2-4-18(5-3-1)24-11-8-16-12-17(13-21-20(16)24)22-19-14-23-9-6-15(19)7-10-23/h1-5,8,11-13,15,19,22H,6-7,9-10,14H2/t19-/m0/s1
InChIKeyDSJBYFDWTXGXCT-IBGZPJMESA-N
MW318.42 g/mol
LogP3.53
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine (PubChem CID 163530240) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine
PubChem CID163530240
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine
SMILESc1ccc(-n2ccc3cc(N[C@H]4CN5CCC4CC5)cnc32)cc1
InChIInChI=1S/C20H22N4/c1-2-4-18(5-3-1)24-11-8-16-12-17(13-21-20(16)24)22-19-14-23-9-6-15(19)7-10-23/h1-5,8,11-13,15,19,22H,6-7,9-10,14H2/t19-/m0/s1
InChIKeyDSJBYFDWTXGXCT-IBGZPJMESA-N
XLogP3.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-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-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine (CID 163530240) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine is c1ccc(-n2ccc3cc(N[C@H]4CN5CCC4CC5)cnc32)cc1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is DSJBYFDWTXGXCT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N4/c1-2-4-18(5-3-1)24-11-8-16-12-17(13-21-20(16)24)22-19-14-23-9-6-15(19)7-10-23/h1-5,8,11-13,15,19,22H,6-7,9-10,14H2/t19-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 318.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylpyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 163530240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).