1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C23H21FN4O3S — CID 38212810

IUPAC1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)cc12
InChIInChI=1S/C23H21FN4O3S/c1-14-19-12-20(32-23(19)28(26-14)18-4-2-16(24)3-5-18)21(29)25-17-6-9-27(10-7-17)22(30)15-8-11-31-13-15/h2-5,8,11-13,17H,6-7,9-10H2,1H3,(H,25,29)
InChIKeyRHLKXGSGCROWBV-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 38212810) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID38212810
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC Name1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)cc12
InChIInChI=1S/C23H21FN4O3S/c1-14-19-12-20(32-23(19)28(26-14)18-4-2-16(24)3-5-18)21(29)25-17-6-9-27(10-7-17)22(30)15-8-11-31-13-15/h2-5,8,11-13,17H,6-7,9-10H2,1H3,(H,25,29)
InChIKeyRHLKXGSGCROWBV-UHFFFAOYSA-N
XLogP4.16
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677354
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2373019
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648559
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119516664
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2092336
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7415783
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
3-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylsulfanylimidazole-4-carboxamide
CID 38199545
1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120554023
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 38212810) is 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)cc12.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is RHLKXGSGCROWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-14-19-12-20(32-23(19)28(26-14)18-4-2-16(24)3-5-18)21(29)25-17-6-9-27(10-7-17)22(30)15-8-11-31-13-15/h2-5,8,11-13,17H,6-7,9-10H2,1H3,(H,25,29).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 38212810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).