4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one

C26H28ClF2N5O3S — CID 58268636

IUPAC4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one
SMILESCc1nn(-c2ncccc2CN2CCOCC2=O)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12
InChIInChI=1S/C26H28ClF2N5O3S/c1-17-19(14-34(31-17)24-18(3-2-6-30-24)13-33-9-10-36-15-22(33)35)12-32-7-4-25(5-8-32)23-20(11-21(27)38-23)26(28,29)16-37-25/h2-3,6,11,14H,4-5,7-10,12-13,15-16H2,1H3
InChIKeyCUXLURHAURSBRB-UHFFFAOYSA-N
MW564.06 g/mol
LogP4.26
Rot. Bonds5

About 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one

4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one (PubChem CID 58268636) has the molecular formula C26H28ClF2N5O3S and a molecular weight of 564.06 g/mol. Its IUPAC name is 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one
PubChem CID58268636
Molecular FormulaC26H28ClF2N5O3S
Molecular Weight564.06 g/mol
Exact Mass563.16
IUPAC Name4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one
SMILESCc1nn(-c2ncccc2CN2CCOCC2=O)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12
InChIInChI=1S/C26H28ClF2N5O3S/c1-17-19(14-34(31-17)24-18(3-2-6-30-24)13-33-9-10-36-15-22(33)35)12-32-7-4-25(5-8-32)23-20(11-21(27)38-23)26(28,29)16-37-25/h2-3,6,11,14H,4-5,7-10,12-13,15-16H2,1H3
InChIKeyCUXLURHAURSBRB-UHFFFAOYSA-N
XLogP4.26
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.06
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methylidene]hydroxylamine
CID 76750708
2-chloro-4,4-difluoro-1'-[[1-[3-(imidazol-1-ylmethyl)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];(2R,3R)-2,3-dihydroxybutanedioic acid
CID 158063936
(NE)-N-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methylidene]hydroxylamine;(2R,3R)-2,3,4-trihydroxypent-4-enoic acid
CID 172946906
2-chloro-1'-[[1-[2-[(3,3-difluoroazetidin-1-yl)methyl]-6-fluorophenyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 88861848
1-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]-N,N-dimethylmethanamine;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 159499649
[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-1-(3-fluoro-2-pyridinyl)-2-methyl-3H-pyrazol-3-yl]methanol
CID 90078379
1'-[[1-[3-(cyclopropylmethoxymethyl)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 58268634
2-chloro-4-fluoro-1'-[[1-[2-(methoxymethyl)phenyl]-3-methylpyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163779226
N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 44561496
2-chloro-4,4-difluoro-1'-[[3-methyl-1-(3-methyl-2-pyridinyl)pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
CID 67168213
ethyl 4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-1-(2-fluorocycloocta-1,3,5-trien-1-yl)pyrazole-3-carboxylate
CID 162589097
2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
CID 67169870

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one?
The IUPAC name of 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one (CID 58268636) is 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one is Cc1nn(-c2ncccc2CN2CCOCC2=O)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12.
What is the InChIKey of 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one?
The InChIKey is CUXLURHAURSBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF2N5O3S/c1-17-19(14-34(31-17)24-18(3-2-6-30-24)13-33-9-10-36-15-22(33)35)12-32-7-4-25(5-8-32)23-20(11-21(27)38-23)26(28,29)16-37-25/h2-3,6,11,14H,4-5,7-10,12-13,15-16H2,1H3.
What are the key properties of 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one?
4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one has a molecular weight of 564.06 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one is sourced from PubChem (CID 58268636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).