2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C15H15F2N5S — CID 166303611

IUPAC2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFC(F)n1ccnc1Cn1cc(-c2cc3c(s2)CCNC3)cn1
InChIInChI=1S/C15H15F2N5S/c16-15(17)22-4-3-19-14(22)9-21-8-11(7-20-21)13-5-10-6-18-2-1-12(10)23-13/h3-5,7-8,15,18H,1-2,6,9H2
InChIKeyAJCLYCGDCQGFCM-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.90
Rot. Bonds4

About 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 166303611) has the molecular formula C15H15F2N5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID166303611
Molecular FormulaC15H15F2N5S
Molecular Weight335.38 g/mol
Exact Mass335.10
IUPAC Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFC(F)n1ccnc1Cn1cc(-c2cc3c(s2)CCNC3)cn1
InChIInChI=1S/C15H15F2N5S/c16-15(17)22-4-3-19-14(22)9-21-8-11(7-20-21)13-5-10-6-18-2-1-12(10)23-13/h3-5,7-8,15,18H,1-2,6,9H2
InChIKeyAJCLYCGDCQGFCM-UHFFFAOYSA-N
XLogP2.90
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 166303611) is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is FC(F)n1ccnc1Cn1cc(-c2cc3c(s2)CCNC3)cn1.
What is the InChIKey of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is AJCLYCGDCQGFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5S/c16-15(17)22-4-3-19-14(22)9-21-8-11(7-20-21)13-5-10-6-18-2-1-12(10)23-13/h3-5,7-8,15,18H,1-2,6,9H2.
What are the key properties of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 335.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 166303611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).