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

C22H24FN5O2S — CID 123337983

IUPAC2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-5-methylpyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1c(CN2CCC3(CC2)OCCc2cc(F)sc23)cnn1-c1ncccc1C(N)=O
InChIInChI=1S/C22H24FN5O2S/c1-14-16(12-26-28(14)21-17(20(24)29)3-2-7-25-21)13-27-8-5-22(6-9-27)19-15(4-10-30-22)11-18(23)31-19/h2-3,7,11-12H,4-6,8-10,13H2,1H3,(H2,24,29)
InChIKeyDNGLMHBRXGVAOI-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]-5-methylpyrazol-1-yl]pyridine-3-carboxamide

2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-5-methylpyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 123337983) 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]-5-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]-5-methylpyrazol-1-yl]pyridine-3-carboxamide
PubChem CID123337983
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]-5-methylpyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1c(CN2CCC3(CC2)OCCc2cc(F)sc23)cnn1-c1ncccc1C(N)=O
InChIInChI=1S/C22H24FN5O2S/c1-14-16(12-26-28(14)21-17(20(24)29)3-2-7-25-21)13-27-8-5-22(6-9-27)19-15(4-10-30-22)11-18(23)31-19/h2-3,7,11-12H,4-6,8-10,13H2,1H3,(H2,24,29)
InChIKeyDNGLMHBRXGVAOI-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

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Related Compounds

2,3-Dihydroxybutanedioic acid;2-fluoro-1'-[[1-(3-fluoro-2-pyridinyl)-3-methylpyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 90654753
N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 44561496
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5-(methoxymethyl)-1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrazole-4-carboxamide
CID 45167442
2-chloro-4,4-difluoro-1'-[[3-methyl-1-(3-methylpyridin-2-yl)pyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 52933278
2-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridin-3-yl]methylamino]acetamide
CID 58268538
2-[[2-[4-[(2-Fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methylamino]acetonitrile
CID 58268540
1-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridin-3-yl]-N-methylmethanamine
CID 58268554
2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridine-3-carboxamide
CID 58268555
2,4,4-trifluoro-1'-[[1-[3-(methoxymethyl)pyridin-2-yl]-3-methylpyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 58268562
2-Fluoro-1'-[[3-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 58268563
1-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridin-3-yl]methyl]pyrrolidin-2-one
CID 58268565
2-chloro-4,4-difluoro-1'-[[1-(3-fluoropyridin-2-yl)-3-methylpyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 58268569

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]-5-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]-5-methylpyrazol-1-yl]pyridine-3-carboxamide (CID 123337983) is 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-5-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]-5-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]-5-methylpyrazol-1-yl]pyridine-3-carboxamide is Cc1c(CN2CCC3(CC2)OCCc2cc(F)sc23)cnn1-c1ncccc1C(N)=O.
What is the InChIKey of 2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-5-methylpyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is DNGLMHBRXGVAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-14-16(12-26-28(14)21-17(20(24)29)3-2-7-25-21)13-27-8-5-22(6-9-27)19-15(4-10-30-22)11-18(23)31-19/h2-3,7,11-12H,4-6,8-10,13H2,1H3,(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]-5-methylpyrazol-1-yl]pyridine-3-carboxamide?
2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-5-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]-5-methylpyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 123337983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).