(1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine

C19H21FN4S — CID 162432897

IUPAC(1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine
SMILESC=c1cc(-n2cc3cc(C4CCNCC4)sc3n2)cc(F)/c1=C/NC
InChIInChI=1S/C19H21FN4S/c1-12-7-15(9-17(20)16(12)10-21-2)24-11-14-8-18(25-19(14)23-24)13-3-5-22-6-4-13/h7-11,13,21-22H,1,3-6H2,2H3/b16-10+
InChIKeyORWIABRWPOSQDW-MHWRWJLKSA-N
MW356.47 g/mol
LogP2.06
Rot. Bonds3

About (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine

(1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine (PubChem CID 162432897) has the molecular formula C19H21FN4S and a molecular weight of 356.47 g/mol. Its IUPAC name is (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine.

Molecular Properties

Compound Name(1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine
PubChem CID162432897
Molecular FormulaC19H21FN4S
Molecular Weight356.47 g/mol
Exact Mass356.15
IUPAC Name(1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine
SMILESC=c1cc(-n2cc3cc(C4CCNCC4)sc3n2)cc(F)/c1=C/NC
InChIInChI=1S/C19H21FN4S/c1-12-7-15(9-17(20)16(12)10-21-2)24-11-14-8-18(25-19(14)23-24)13-3-5-22-6-4-13/h7-11,13,21-22H,1,3-6H2,2H3/b16-10+
InChIKeyORWIABRWPOSQDW-MHWRWJLKSA-N
XLogP2.06
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine?
The IUPAC name of (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine (CID 162432897) is (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine.
What is the SMILES notation for (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine?
The canonical SMILES for (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine is C=c1cc(-n2cc3cc(C4CCNCC4)sc3n2)cc(F)/c1=C/NC.
What is the InChIKey of (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine?
The InChIKey is ORWIABRWPOSQDW-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H21FN4S/c1-12-7-15(9-17(20)16(12)10-21-2)24-11-14-8-18(25-19(14)23-24)13-3-5-22-6-4-13/h7-11,13,21-22H,1,3-6H2,2H3/b16-10+.
What are the key properties of (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine?
(1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine has a molecular weight of 356.47 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[2-fluoro-6-methylidene-4-(5-piperidin-4-ylthieno[2,3-c]pyrazol-2-yl)cyclohexa-2,4-dien-1-ylidene]-N-methylmethanamine is sourced from PubChem (CID 162432897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).