1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

C23H22FN5O2S — CID 32585867

IUPAC1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccnc(N4CCOCC4)c3)cc12
InChIInChI=1S/C23H22FN5O2S/c1-15-19-13-20(32-23(19)29(27-15)18-4-2-17(24)3-5-18)22(30)26-14-16-6-7-25-21(12-16)28-8-10-31-11-9-28/h2-7,12-13H,8-11,14H2,1H3,(H,26,30)
InChIKeyAUNWPWBCLSEVCF-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.70
Rot. Bonds5

About 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 32585867) has the molecular formula C23H22FN5O2S and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID32585867
Molecular FormulaC23H22FN5O2S
Molecular Weight451.53 g/mol
Exact Mass451.15
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccnc(N4CCOCC4)c3)cc12
InChIInChI=1S/C23H22FN5O2S/c1-15-19-13-20(32-23(19)29(27-15)18-4-2-17(24)3-5-18)22(30)26-14-16-6-7-25-21(12-16)28-8-10-31-11-9-28/h2-7,12-13H,8-11,14H2,1H3,(H,26,30)
InChIKeyAUNWPWBCLSEVCF-UHFFFAOYSA-N
XLogP3.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 24549522
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
1-(4-fluorophenyl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46462449
3-methyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55681366
1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119444771
1-(4-fluorophenyl)-3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 60544842
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide
CID 32586451
N-(3-aminobutyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119494763
1-(4-fluorophenyl)-3-methyl-N-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 18107121
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4068986

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 32585867) is 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccnc(N4CCOCC4)c3)cc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AUNWPWBCLSEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2S/c1-15-19-13-20(32-23(19)29(27-15)18-4-2-17(24)3-5-18)22(30)26-14-16-6-7-25-21(12-16)28-8-10-31-11-9-28/h2-7,12-13H,8-11,14H2,1H3,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 32585867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).