3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide

C16H17N7OS — CID 139358030

IUPAC3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESNC(=O)c1cn2c(-c3nccc(N4CCCC(S)C4)n3)cnc2cn1
InChIInChI=1S/C16H17N7OS/c17-15(24)11-9-23-12(6-20-14(23)7-19-11)16-18-4-3-13(21-16)22-5-1-2-10(25)8-22/h3-4,6-7,9-10,25H,1-2,5,8H2,(H2,17,24)
InChIKeyNVKDELRBKGGPGC-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.18
Rot. Bonds3

About 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide

3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 139358030) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID139358030
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESNC(=O)c1cn2c(-c3nccc(N4CCCC(S)C4)n3)cnc2cn1
InChIInChI=1S/C16H17N7OS/c17-15(24)11-9-23-12(6-20-14(23)7-19-11)16-18-4-3-13(21-16)22-5-1-2-10(25)8-22/h3-4,6-7,9-10,25H,1-2,5,8H2,(H2,17,24)
InChIKeyNVKDELRBKGGPGC-UHFFFAOYSA-N
XLogP1.18
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 139358033
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139358253
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357749
1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344807
(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344396
(3S)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343966
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167201942
6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine;thiohydroxylamine
CID 153331154
1-tert-butyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazole-4-carboxamide
CID 139359788
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine;2,2,2-trifluoroacetic acid
CID 139343986
2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine
CID 139358057

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 139358030) is 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide is NC(=O)c1cn2c(-c3nccc(N4CCCC(S)C4)n3)cnc2cn1.
What is the InChIKey of 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is NVKDELRBKGGPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c17-15(24)11-9-23-12(6-20-14(23)7-19-11)16-18-4-3-13(21-16)22-5-1-2-10(25)8-22/h3-4,6-7,9-10,25H,1-2,5,8H2,(H2,17,24).
What are the key properties of 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 139358030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).