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

C16H16F3N7S — CID 177372005

IUPACN-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
SMILESFC(F)(F)c1ncccc1Sc1cnc2nc(NC3CCCNC3)[nH]c2n1
InChIInChI=1S/C16H16F3N7S/c17-16(18,19)12-10(4-2-6-21-12)27-11-8-22-13-14(24-11)26-15(25-13)23-9-3-1-5-20-7-9/h2,4,6,8-9,20H,1,3,5,7H2,(H2,22,23,24,25,26)
InChIKeyRRIWJMYEKCKAGE-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.08
Rot. Bonds4

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

N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine (PubChem CID 177372005) has the molecular formula C16H16F3N7S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
PubChem CID177372005
Molecular FormulaC16H16F3N7S
Molecular Weight395.41 g/mol
Exact Mass395.11
IUPAC NameN-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
SMILESFC(F)(F)c1ncccc1Sc1cnc2nc(NC3CCCNC3)[nH]c2n1
InChIInChI=1S/C16H16F3N7S/c17-16(18,19)12-10(4-2-6-21-12)27-11-8-22-13-14(24-11)26-15(25-13)23-9-3-1-5-20-7-9/h2,4,6,8-9,20H,1,3,5,7H2,(H2,22,23,24,25,26)
InChIKeyRRIWJMYEKCKAGE-UHFFFAOYSA-N
XLogP3.08
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine with MolForge

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Related Compounds

1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 155796518
N-[(3R)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637328
2-[[3-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methyl]isoindole-1,3-dione
CID 164850993
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322
N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361
3-[2-(piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]azepin-8-one
CID 171102504
N-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637244
N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168827322
N-piperidin-3-ylpyridin-2-amine
CID 63321128
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
N-piperidin-3-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 114280857

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The IUPAC name of N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine (CID 177372005) is N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine.
What is the SMILES notation for N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The canonical SMILES for N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine is FC(F)(F)c1ncccc1Sc1cnc2nc(NC3CCCNC3)[nH]c2n1.
What is the InChIKey of N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The InChIKey is RRIWJMYEKCKAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7S/c17-16(18,19)12-10(4-2-6-21-12)27-11-8-22-13-14(24-11)26-15(25-13)23-9-3-1-5-20-7-9/h2,4,6,8-9,20H,1,3,5,7H2,(H2,22,23,24,25,26).
What are the key properties of N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine has a molecular weight of 395.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine is sourced from PubChem (CID 177372005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).