N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine

C16H12F3N7S — CID 167651637

IUPACN-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
SMILESFC(F)(F)c1ncccc1Sc1cnc2nc(NCC3=CC=NC3)[nH]c2n1
InChIInChI=1S/C16H12F3N7S/c17-16(18,19)12-10(2-1-4-21-12)27-11-8-22-13-14(24-11)26-15(25-13)23-7-9-3-5-20-6-9/h1-5,8H,6-7H2,(H2,22,23,24,25,26)
InChIKeyQQUDKVZFBUMDLL-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.34
Rot. Bonds5

About N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine

N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine (PubChem CID 167651637) has the molecular formula C16H12F3N7S and a molecular weight of 391.38 g/mol. Its IUPAC name is N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
PubChem CID167651637
Molecular FormulaC16H12F3N7S
Molecular Weight391.38 g/mol
Exact Mass391.08
IUPAC NameN-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
SMILESFC(F)(F)c1ncccc1Sc1cnc2nc(NCC3=CC=NC3)[nH]c2n1
InChIInChI=1S/C16H12F3N7S/c17-16(18,19)12-10(2-1-4-21-12)27-11-8-22-13-14(24-11)26-15(25-13)23-7-9-3-5-20-6-9/h1-5,8H,6-7H2,(H2,22,23,24,25,26)
InChIKeyQQUDKVZFBUMDLL-UHFFFAOYSA-N
XLogP3.34
TPSA91.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]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 N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The IUPAC name of N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine (CID 167651637) is N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine.
What is the SMILES notation for N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The canonical SMILES for N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine is FC(F)(F)c1ncccc1Sc1cnc2nc(NCC3=CC=NC3)[nH]c2n1.
What is the InChIKey of N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The InChIKey is QQUDKVZFBUMDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N7S/c17-16(18,19)12-10(2-1-4-21-12)27-11-8-22-13-14(24-11)26-15(25-13)23-7-9-3-5-20-6-9/h1-5,8H,6-7H2,(H2,22,23,24,25,26).
What are the key properties of N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine has a molecular weight of 391.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrrol-3-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine is sourced from PubChem (CID 167651637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).