N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide

C24H21ClFN5O2S — CID 55815704

IUPACN-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc12
InChIInChI=1S/C24H21ClFN5O2S/c1-14-19-12-20(34-24(19)31(29-14)18-5-3-17(26)4-6-18)23(33)30-10-8-15(9-11-30)22(32)28-21-7-2-16(25)13-27-21/h2-7,12-13,15H,8-11H2,1H3,(H,27,28,32)
InChIKeyHTYSHGYMDZDMJU-UHFFFAOYSA-N
MW497.98 g/mol
LogP5.07
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 55815704) has the molecular formula C24H21ClFN5O2S and a molecular weight of 497.98 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID55815704
Molecular FormulaC24H21ClFN5O2S
Molecular Weight497.98 g/mol
Exact Mass497.11
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc12
InChIInChI=1S/C24H21ClFN5O2S/c1-14-19-12-20(34-24(19)31(29-14)18-5-3-17(26)4-6-18)23(33)30-10-8-15(9-11-30)22(32)28-21-7-2-16(25)13-27-21/h2-7,12-13,15H,8-11H2,1H3,(H,27,28,32)
InChIKeyHTYSHGYMDZDMJU-UHFFFAOYSA-N
XLogP5.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.98
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2018052
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 55812719
N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119516664
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55813120
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 2022597
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 4807692
N-(5-chloro-2-pyridinyl)-1-(4-fluoro-2-iodobenzoyl)piperidine-4-carboxamide
CID 55925189
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2017715
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone
CID 119579939
N-(5-chloro-2-pyridinyl)-1-[2-(4-fluorobenzoyl)benzoyl]piperidine-4-carboxamide
CID 55924923

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide (CID 55815704) is N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is HTYSHGYMDZDMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2S/c1-14-19-12-20(34-24(19)31(29-14)18-5-3-17(26)4-6-18)23(33)30-10-8-15(9-11-30)22(32)28-21-7-2-16(25)13-27-21/h2-7,12-13,15H,8-11H2,1H3,(H,27,28,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55815704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).