1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide

C17H16F3N7OS — CID 155796518

IUPAC1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ncc(Sc4cccnc4C(F)(F)F)nc3[nH]2)CC1
InChIInChI=1S/C17H16F3N7OS/c18-17(19,20)12-10(2-1-5-22-12)29-11-8-23-14-15(24-11)26-16(25-14)27-6-3-9(4-7-27)13(21)28/h1-2,5,8-9H,3-4,6-7H2,(H2,21,28)(H,23,24,25,26)
InChIKeyOTIBBROZULEJKA-UHFFFAOYSA-N
MW423.42 g/mol
LogP2.62
Rot. Bonds4

About 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide

1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 155796518) has the molecular formula C17H16F3N7OS and a molecular weight of 423.42 g/mol. Its IUPAC name is 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID155796518
Molecular FormulaC17H16F3N7OS
Molecular Weight423.42 g/mol
Exact Mass423.11
IUPAC Name1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ncc(Sc4cccnc4C(F)(F)F)nc3[nH]2)CC1
InChIInChI=1S/C17H16F3N7OS/c18-17(19,20)12-10(2-1-5-22-12)29-11-8-23-14-15(24-11)26-16(25-14)27-6-3-9(4-7-27)13(21)28/h1-2,5,8-9H,3-4,6-7H2,(H2,21,28)(H,23,24,25,26)
InChIKeyOTIBBROZULEJKA-UHFFFAOYSA-N
XLogP2.62
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

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CID 646144
CID 646144
CID 654786
CID 654786
CID 20887437
CID 20887437
CID 129245404
CID 129245404
CID 140765896
CID 140765896
CID 155796498
CID 155796498
CID 155796536
CID 155796536
CID 155796555
CID 155796555
CID 155796557
CID 155796557
CID 155796580
CID 155796580

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide (CID 155796518) is 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc3ncc(Sc4cccnc4C(F)(F)F)nc3[nH]2)CC1.
What is the InChIKey of 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is OTIBBROZULEJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7OS/c18-17(19,20)12-10(2-1-5-22-12)29-11-8-23-14-15(24-11)26-16(25-14)27-6-3-9(4-7-27)13(21)28/h1-2,5,8-9H,3-4,6-7H2,(H2,21,28)(H,23,24,25,26).
What are the key properties of 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide?
1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 155796518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).