7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C25H26FN5O3S — CID 46927173

IUPAC7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1nc(NC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)sc1C(=O)NCc1ccccn1
InChIInChI=1S/C25H26FN5O3S/c1-16-21(22(32)28-15-19-4-2-3-11-27-19)35-23(29-16)30-24(33)31-12-9-25(10-13-31)8-7-17-5-6-18(26)14-20(17)34-25/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,28,32)(H,29,30,33)
InChIKeySZHNJVRDLHTRDR-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.31
Rot. Bonds4

About 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 46927173) has the molecular formula C25H26FN5O3S and a molecular weight of 495.58 g/mol. Its IUPAC name is 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID46927173
Molecular FormulaC25H26FN5O3S
Molecular Weight495.58 g/mol
Exact Mass495.17
IUPAC Name7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1nc(NC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)sc1C(=O)NCc1ccccn1
InChIInChI=1S/C25H26FN5O3S/c1-16-21(22(32)28-15-19-4-2-3-11-27-19)35-23(29-16)30-24(33)31-12-9-25(10-13-31)8-7-17-5-6-18(26)14-20(17)34-25/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,28,32)(H,29,30,33)
InChIKeySZHNJVRDLHTRDR-UHFFFAOYSA-N
XLogP4.31
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 46927173) is 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is Cc1nc(NC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)sc1C(=O)NCc1ccccn1.
What is the InChIKey of 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is SZHNJVRDLHTRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3S/c1-16-21(22(32)28-15-19-4-2-3-11-27-19)35-23(29-16)30-24(33)31-12-9-25(10-13-31)8-7-17-5-6-18(26)14-20(17)34-25/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,28,32)(H,29,30,33).
What are the key properties of 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[4-methyl-5-(pyridin-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46927173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).