(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide

C21H26N6OS — CID 92551502

IUPAC(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCCC1
InChIInChI=1S/C21H26N6OS/c1-16(26-10-3-2-4-11-26)21(28)24-9-12-27-20(19-6-5-13-29-19)17(14-25-27)18-15-22-7-8-23-18/h5-8,13-16H,2-4,9-12H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeySIVANCYIBBKWSC-INIZCTEOSA-N
MW410.55 g/mol
LogP3.06
Rot. Bonds7

About (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide

(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide (PubChem CID 92551502) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
PubChem CID92551502
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCCC1
InChIInChI=1S/C21H26N6OS/c1-16(26-10-3-2-4-11-26)21(28)24-9-12-27-20(19-6-5-13-29-19)17(14-25-27)18-15-22-7-8-23-18/h5-8,13-16H,2-4,9-12H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeySIVANCYIBBKWSC-INIZCTEOSA-N
XLogP3.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide (CID 92551502) is (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide is C[C@@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCCC1.
What is the InChIKey of (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is SIVANCYIBBKWSC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-16(26-10-3-2-4-11-26)21(28)24-9-12-27-20(19-6-5-13-29-19)17(14-25-27)18-15-22-7-8-23-18/h5-8,13-16H,2-4,9-12H2,1H3,(H,24,28)/t16-/m0/s1.
What are the key properties of (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide?
(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 410.55 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 92551502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).