N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H15FN4O2S — CID 166294683

IUPACN-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC2OCCc3sc(F)cc32)cnc2ccnn12
InChIInChI=1S/C16H15FN4O2S/c1-9-11(7-18-15-2-4-20-21(9)15)16(22)19-8-12-10-6-14(17)24-13(10)3-5-23-12/h2,4,6-7,12H,3,5,8H2,1H3,(H,19,22)
InChIKeyHNCGSFPJZDCRQF-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.28
Rot. Bonds3

About N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 166294683) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID166294683
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC NameN-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC2OCCc3sc(F)cc32)cnc2ccnn12
InChIInChI=1S/C16H15FN4O2S/c1-9-11(7-18-15-2-4-20-21(9)15)16(22)19-8-12-10-6-14(17)24-13(10)3-5-23-12/h2,4,6-7,12H,3,5,8H2,1H3,(H,19,22)
InChIKeyHNCGSFPJZDCRQF-UHFFFAOYSA-N
XLogP2.28
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 166294683) is N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC2OCCc3sc(F)cc32)cnc2ccnn12.
What is the InChIKey of N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HNCGSFPJZDCRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-9-11(7-18-15-2-4-20-21(9)15)16(22)19-8-12-10-6-14(17)24-13(10)3-5-23-12/h2,4,6-7,12H,3,5,8H2,1H3,(H,19,22).
What are the key properties of N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 166294683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).