N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine

C15H11F3N8S — CID 155796579

IUPACN-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
SMILESFC(F)(F)c1ncccc1Sc1cnc2nc(NCc3ccn[nH]3)[nH]c2n1
InChIInChI=1S/C15H11F3N8S/c16-15(17,18)11-9(2-1-4-19-11)27-10-7-20-12-13(23-10)25-14(24-12)21-6-8-3-5-22-26-8/h1-5,7H,6H2,(H,22,26)(H2,20,21,23,24,25)
InChIKeyUFTCSADYGQKELP-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.25
Rot. Bonds5

About N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine

N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine (PubChem CID 155796579) has the molecular formula C15H11F3N8S and a molecular weight of 392.37 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
PubChem CID155796579
Molecular FormulaC15H11F3N8S
Molecular Weight392.37 g/mol
Exact Mass392.08
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
SMILESFC(F)(F)c1ncccc1Sc1cnc2nc(NCc3ccn[nH]3)[nH]c2n1
InChIInChI=1S/C15H11F3N8S/c16-15(17,18)11-9(2-1-4-19-11)27-10-7-20-12-13(23-10)25-14(24-12)21-6-8-3-5-22-26-8/h1-5,7H,6H2,(H,22,26)(H2,20,21,23,24,25)
InChIKeyUFTCSADYGQKELP-UHFFFAOYSA-N
XLogP3.25
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine (CID 155796579) is N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine is FC(F)(F)c1ncccc1Sc1cnc2nc(NCc3ccn[nH]3)[nH]c2n1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The InChIKey is UFTCSADYGQKELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N8S/c16-15(17,18)11-9(2-1-4-19-11)27-10-7-20-12-13(23-10)25-14(24-12)21-6-8-3-5-22-26-8/h1-5,7H,6H2,(H,22,26)(H2,20,21,23,24,25).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine has a molecular weight of 392.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine is sourced from PubChem (CID 155796579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).