[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone

C18H13ClN4O2S — CID 133081358

IUPAC[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C18H13ClN4O2S/c19-16-5-4-13(26-16)10-21-17-9-15(14-3-1-2-7-20-14)22-23(17)18(24)12-6-8-25-11-12/h1-9,11,21H,10H2
InChIKeyBYVJWTIMUGEKIN-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.55
Rot. Bonds5

About [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone

[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone (PubChem CID 133081358) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone
PubChem CID133081358
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C18H13ClN4O2S/c19-16-5-4-13(26-16)10-21-17-9-15(14-3-1-2-7-20-14)22-23(17)18(24)12-6-8-25-11-12/h1-9,11,21H,10H2
InChIKeyBYVJWTIMUGEKIN-UHFFFAOYSA-N
XLogP4.55
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one
CID 133081140
2-[5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-[2-(trifluoromethyl)benzoyl]pyrazol-3-yl]-3-pyridin-2-yl-2H-pyridin-1-yl]-1-(furan-3-yl)ethanone
CID 154403994
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 130423033
3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one
CID 135334080
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 133081249
6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one
CID 137002534
1-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(furan-2-yl)pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 133081346
3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-[2-fluoro-6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]pyrazole-1-carbonyl]benzamide
CID 118960022
4-[5-[(5-chlorothiophen-2-yl)methylamino]-3-[2-(dimethylamino)-6-oxo-1-phenacyl-3-pyridinyl]pyrazole-1-carbonyl]benzoic acid
CID 118959275
6-chloro-5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-(2-oxo-2-pyridin-2-ylethyl)pyridin-2-one
CID 118959296
[5-[(5-chlorothiophen-2-yl)methylamino]-3-(oxolan-2-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 122508911
2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-methyl-6-oxo-1-(2-oxo-2-pyridin-2-ylethyl)pyridine-3-carboxylic acid
CID 130423118

Frequently Asked Questions

What is the IUPAC name of [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone (CID 133081358) is [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1.
What is the InChIKey of [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone?
The InChIKey is BYVJWTIMUGEKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-16-5-4-13(26-16)10-21-17-9-15(14-3-1-2-7-20-14)22-23(17)18(24)12-6-8-25-11-12/h1-9,11,21H,10H2.
What are the key properties of [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone?
[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone has a molecular weight of 384.85 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 133081358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).