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]

C22H25ClF2N4OS — CID 67168213

IUPAC2-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]
SMILESCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)C2C=C(Cl)SC23)c(C)n1
InChIInChI=1S/C22H25ClF2N4OS/c1-14-4-3-7-26-20(14)29-12-16(15(2)27-29)11-28-8-5-21(6-9-28)19-17(10-18(23)31-19)22(24,25)13-30-21/h3-4,7,10,12,17,19H,5-6,8-9,11,13H2,1-2H3
InChIKeyZYISJPBTJCJKJN-UHFFFAOYSA-N
MW466.99 g/mol
LogP4.70
Rot. Bonds3

About 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]

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] (PubChem CID 67168213) has the molecular formula C22H25ClF2N4OS and a molecular weight of 466.99 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name2-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]
PubChem CID67168213
Molecular FormulaC22H25ClF2N4OS
Molecular Weight466.99 g/mol
Exact Mass466.14
IUPAC Name2-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]
SMILESCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)C2C=C(Cl)SC23)c(C)n1
InChIInChI=1S/C22H25ClF2N4OS/c1-14-4-3-7-26-20(14)29-12-16(15(2)27-29)11-28-8-5-21(6-9-28)19-17(10-18(23)31-19)22(24,25)13-30-21/h3-4,7,10,12,17,19H,5-6,8-9,11,13H2,1-2H3
InChIKeyZYISJPBTJCJKJN-UHFFFAOYSA-N
XLogP4.70
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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] with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
CID 67168881
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
2-[[2-[4-[(2-chloro-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetamide
CID 67170132
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
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
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'-[[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
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
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine
CID 56714731
(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
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane
CID 135103826

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Cc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)C2C=C(Cl)SC23)c(C)n1.
What is the InChIKey of 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]?
The InChIKey is ZYISJPBTJCJKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF2N4OS/c1-14-4-3-7-26-20(14)29-12-16(15(2)27-29)11-28-8-5-21(6-9-28)19-17(10-18(23)31-19)22(24,25)13-30-21/h3-4,7,10,12,17,19H,5-6,8-9,11,13H2,1-2H3.
What are the key properties of 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]?
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] has a molecular weight of 466.99 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 67168213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).