N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C16H21N7OS — CID 134700939

IUPACN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCn1nc2c(c1NC(=O)CN1CCN(c3ncccn3)CC1)CSC2
InChIInChI=1S/C16H21N7OS/c1-21-15(12-10-25-11-13(12)20-21)19-14(24)9-22-5-7-23(8-6-22)16-17-3-2-4-18-16/h2-4H,5-11H2,1H3,(H,19,24)
InChIKeyXJNBZPQXRJLALQ-UHFFFAOYSA-N
MW359.46 g/mol
LogP0.72
Rot. Bonds4

About N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 134700939) has the molecular formula C16H21N7OS and a molecular weight of 359.46 g/mol. Its IUPAC name is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID134700939
Molecular FormulaC16H21N7OS
Molecular Weight359.46 g/mol
Exact Mass359.15
IUPAC NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCn1nc2c(c1NC(=O)CN1CCN(c3ncccn3)CC1)CSC2
InChIInChI=1S/C16H21N7OS/c1-21-15(12-10-25-11-13(12)20-21)19-14(24)9-22-5-7-23(8-6-22)16-17-3-2-4-18-16/h2-4H,5-11H2,1H3,(H,19,24)
InChIKeyXJNBZPQXRJLALQ-UHFFFAOYSA-N
XLogP0.72
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 156584420
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570264
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
N-(5-chloro-2-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4782283
N-(4-bromo-2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469671

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 134700939) is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is Cn1nc2c(c1NC(=O)CN1CCN(c3ncccn3)CC1)CSC2.
What is the InChIKey of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is XJNBZPQXRJLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7OS/c1-21-15(12-10-25-11-13(12)20-21)19-14(24)9-22-5-7-23(8-6-22)16-17-3-2-4-18-16/h2-4H,5-11H2,1H3,(H,19,24).
What are the key properties of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 359.46 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 134700939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).