6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine

C22H19F2N5 — CID 67959866

IUPAC6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
SMILESFc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(N[C@@H]4CCNC4)n3)c2c1
InChIInChI=1S/C22H19F2N5/c23-17-2-1-3-18(24)22(17)13-4-5-19-15(8-13)16(10-27-19)20-11-26-12-21(29-20)28-14-6-7-25-9-14/h1-5,8,10-12,14,25,27H,6-7,9H2,(H,28,29)/t14-/m1/s1
InChIKeyNYVYMPMCJIVGDI-CQSZACIVSA-N
MW391.43 g/mol
LogP4.34
Rot. Bonds4

About 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine

6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine (PubChem CID 67959866) has the molecular formula C22H19F2N5 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
PubChem CID67959866
Molecular FormulaC22H19F2N5
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
SMILESFc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(N[C@@H]4CCNC4)n3)c2c1
InChIInChI=1S/C22H19F2N5/c23-17-2-1-3-18(24)22(17)13-4-5-19-15(8-13)16(10-27-19)20-11-26-12-21(29-20)28-14-6-7-25-9-14/h1-5,8,10-12,14,25,27H,6-7,9H2,(H,28,29)/t14-/m1/s1
InChIKeyNYVYMPMCJIVGDI-CQSZACIVSA-N
XLogP4.34
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-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 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
The IUPAC name of 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine (CID 67959866) is 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine is Fc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(N[C@@H]4CCNC4)n3)c2c1.
What is the InChIKey of 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
The InChIKey is NYVYMPMCJIVGDI-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19F2N5/c23-17-2-1-3-18(24)22(17)13-4-5-19-15(8-13)16(10-27-19)20-11-26-12-21(29-20)28-14-6-7-25-9-14/h1-5,8,10-12,14,25,27H,6-7,9H2,(H,28,29)/t14-/m1/s1.
What are the key properties of 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine has a molecular weight of 391.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 67959866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).