5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide

C16H18N6OS — CID 133278481

IUPAC5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)s1
InChIInChI=1S/C16H18N6OS/c1-10-2-3-13(24-10)16(23)20-11-4-6-22(7-5-11)15-12-8-19-21-14(12)17-9-18-15/h2-3,8-9,11H,4-7H2,1H3,(H,20,23)(H,17,18,19,21)
InChIKeyOSKUARCXHBAYHT-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.12
Rot. Bonds3

About 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide

5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 133278481) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID133278481
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)s1
InChIInChI=1S/C16H18N6OS/c1-10-2-3-13(24-10)16(23)20-11-4-6-22(7-5-11)15-12-8-19-21-14(12)17-9-18-15/h2-3,8-9,11H,4-7H2,1H3,(H,20,23)(H,17,18,19,21)
InChIKeyOSKUARCXHBAYHT-UHFFFAOYSA-N
XLogP2.12
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide (CID 133278481) is 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)s1.
What is the InChIKey of 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is OSKUARCXHBAYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-10-2-3-13(24-10)16(23)20-11-4-6-22(7-5-11)15-12-8-19-21-14(12)17-9-18-15/h2-3,8-9,11H,4-7H2,1H3,(H,20,23)(H,17,18,19,21).
What are the key properties of 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 133278481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).