2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol

C25H30F2N4O2S — CID 162558746

IUPAC2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol
SMILESCc1cc2c(s1)C1(CCN(Cc3cn(-c4ncccc4C(C)(C)O)nc3C)CC1)OCC2(F)F
InChIInChI=1S/C25H30F2N4O2S/c1-16-12-20-21(34-16)24(33-15-25(20,26)27)7-10-30(11-8-24)13-18-14-31(29-17(18)2)22-19(23(3,4)32)6-5-9-28-22/h5-6,9,12,14,32H,7-8,10-11,13,15H2,1-4H3
InChIKeyZHZYLFIAXMOIRL-UHFFFAOYSA-N
MW488.60 g/mol
LogP4.79
Rot. Bonds4

About 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol

2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol (PubChem CID 162558746) has the molecular formula C25H30F2N4O2S and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol
PubChem CID162558746
Molecular FormulaC25H30F2N4O2S
Molecular Weight488.60 g/mol
Exact Mass488.21
IUPAC Name2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol
SMILESCc1cc2c(s1)C1(CCN(Cc3cn(-c4ncccc4C(C)(C)O)nc3C)CC1)OCC2(F)F
InChIInChI=1S/C25H30F2N4O2S/c1-16-12-20-21(34-16)24(33-15-25(20,26)27)7-10-30(11-8-24)13-18-14-31(29-17(18)2)22-19(23(3,4)32)6-5-9-28-22/h5-6,9,12,14,32H,7-8,10-11,13,15H2,1-4H3
InChIKeyZHZYLFIAXMOIRL-UHFFFAOYSA-N
XLogP4.79
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol (CID 162558746) is 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol is Cc1cc2c(s1)C1(CCN(Cc3cn(-c4ncccc4C(C)(C)O)nc3C)CC1)OCC2(F)F.
What is the InChIKey of 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is ZHZYLFIAXMOIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O2S/c1-16-12-20-21(34-16)24(33-15-25(20,26)27)7-10-30(11-8-24)13-18-14-31(29-17(18)2)22-19(23(3,4)32)6-5-9-28-22/h5-6,9,12,14,32H,7-8,10-11,13,15H2,1-4H3.
What are the key properties of 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol?
2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 488.60 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4,4-difluoro-2-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 162558746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).