piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone

C16H16N4OS — CID 141369115

IUPACpiperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cnc3[nH]ccc3n2)c1)N1CCCCC1
InChIInChI=1S/C16H16N4OS/c21-16(20-6-2-1-3-7-20)11-8-14(22-10-11)13-9-18-15-12(19-13)4-5-17-15/h4-5,8-10H,1-3,6-7H2,(H,17,18)
InChIKeyREHSBSHISXRGCX-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.31
Rot. Bonds2

About piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone

piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone (PubChem CID 141369115) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone
PubChem CID141369115
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Namepiperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cnc3[nH]ccc3n2)c1)N1CCCCC1
InChIInChI=1S/C16H16N4OS/c21-16(20-6-2-1-3-7-20)11-8-14(22-10-11)13-9-18-15-12(19-13)4-5-17-15/h4-5,8-10H,1-3,6-7H2,(H,17,18)
InChIKeyREHSBSHISXRGCX-UHFFFAOYSA-N
XLogP3.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone with MolForge

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Related Compounds

6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 165416240
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone
CID 58558107
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide
CID 135300348
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1-[4-[4-(azepane-1-carbonyl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 42644831
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 141369111
2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one
CID 143435170

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone (CID 141369115) is piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone is O=C(c1csc(-c2cnc3[nH]ccc3n2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone?
The InChIKey is REHSBSHISXRGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-16(20-6-2-1-3-7-20)11-8-14(22-10-11)13-9-18-15-12(19-13)4-5-17-15/h4-5,8-10H,1-3,6-7H2,(H,17,18).
What are the key properties of piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone?
piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone has a molecular weight of 312.40 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 141369115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).