1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

C21H26N6OS — CID 47041210

IUPAC1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
SMILESCC1CCN(C(CNC(=O)Nc2cccnc2-n2cccn2)c2cccs2)CC1
InChIInChI=1S/C21H26N6OS/c1-16-7-12-26(13-8-16)18(19-6-3-14-29-19)15-23-21(28)25-17-5-2-9-22-20(17)27-11-4-10-24-27/h2-6,9-11,14,16,18H,7-8,12-13,15H2,1H3,(H2,23,25,28)
InChIKeyNIHVAVKVMLDUBV-UHFFFAOYSA-N
MW410.55 g/mol
LogP3.92
Rot. Bonds6

About 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 47041210) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
PubChem CID47041210
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
SMILESCC1CCN(C(CNC(=O)Nc2cccnc2-n2cccn2)c2cccs2)CC1
InChIInChI=1S/C21H26N6OS/c1-16-7-12-26(13-8-16)18(19-6-3-14-29-19)15-23-21(28)25-17-5-2-9-22-20(17)27-11-4-10-24-27/h2-6,9-11,14,16,18H,7-8,12-13,15H2,1H3,(H2,23,25,28)
InChIKeyNIHVAVKVMLDUBV-UHFFFAOYSA-N
XLogP3.92
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94042765
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94173591
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 94169729
2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 75865101
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 55349829
1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(pyridin-2-ylmethyl)urea
CID 86841659
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111323543
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 25471814
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
2-methyl-N-[2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamimidoyl]amino]ethyl]propanamide
CID 111323370

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (CID 47041210) is 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is CC1CCN(C(CNC(=O)Nc2cccnc2-n2cccn2)c2cccs2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The InChIKey is NIHVAVKVMLDUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-16-7-12-26(13-8-16)18(19-6-3-14-29-19)15-23-21(28)25-17-5-2-9-22-20(17)27-11-4-10-24-27/h2-6,9-11,14,16,18H,7-8,12-13,15H2,1H3,(H2,23,25,28).
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 410.55 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 47041210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).