2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide

C22H24FN5O2S — CID 67168088

IUPAC2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(-c2ncccc2C(N)=O)cc1CN1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C22H24FN5O2S/c1-14-16(13-28(26-14)21-17(20(24)29)3-2-7-25-21)12-27-8-5-22(6-9-27)19-15(4-10-30-22)11-18(23)31-19/h2-3,7,11,13H,4-6,8-10,12H2,1H3,(H2,24,29)
InChIKeyANFNELTXJJGJHF-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.94
Rot. Bonds4

About 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide

2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 67168088) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide
PubChem CID67168088
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC Name2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(-c2ncccc2C(N)=O)cc1CN1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C22H24FN5O2S/c1-14-16(13-28(26-14)21-17(20(24)29)3-2-7-25-21)12-27-8-5-22(6-9-27)19-15(4-10-30-22)11-18(23)31-19/h2-3,7,11,13H,4-6,8-10,12H2,1H3,(H2,24,29)
InChIKeyANFNELTXJJGJHF-UHFFFAOYSA-N
XLogP2.94
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide (CID 67168088) is 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide is Cc1nn(-c2ncccc2C(N)=O)cc1CN1CCC2(CC1)OCCc1cc(F)sc12.
What is the InChIKey of 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is ANFNELTXJJGJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-14-16(13-28(26-14)21-17(20(24)29)3-2-7-25-21)12-27-8-5-22(6-9-27)19-15(4-10-30-22)11-18(23)31-19/h2-3,7,11,13H,4-6,8-10,12H2,1H3,(H2,24,29).
What are the key properties of 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide?
2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67168088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).