3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one

C23H17ClN4O4S — CID 133081246

IUPAC3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one
SMILESO=C(c1ccco1)n1nc(-c2cccn(Cc3ccco3)c2=O)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C23H17ClN4O4S/c24-20-8-7-16(33-20)13-25-21-12-18(26-28(21)23(30)19-6-3-11-32-19)17-5-1-9-27(22(17)29)14-15-4-2-10-31-15/h1-12,25H,13-14H2
InChIKeyWFILVCHHZTWQKH-UHFFFAOYSA-N
MW480.93 g/mol
LogP4.96
Rot. Bonds7

About 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one

3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one (PubChem CID 133081246) has the molecular formula C23H17ClN4O4S and a molecular weight of 480.93 g/mol. Its IUPAC name is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one
PubChem CID133081246
Molecular FormulaC23H17ClN4O4S
Molecular Weight480.93 g/mol
Exact Mass480.07
IUPAC Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one
SMILESO=C(c1ccco1)n1nc(-c2cccn(Cc3ccco3)c2=O)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C23H17ClN4O4S/c24-20-8-7-16(33-20)13-25-21-12-18(26-28(21)23(30)19-6-3-11-32-19)17-5-1-9-27(22(17)29)14-15-4-2-10-31-15/h1-12,25H,13-14H2
InChIKeyWFILVCHHZTWQKH-UHFFFAOYSA-N
XLogP4.96
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one (CID 133081246) is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one is O=C(c1ccco1)n1nc(-c2cccn(Cc3ccco3)c2=O)cc1NCc1ccc(Cl)s1.
What is the InChIKey of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one?
The InChIKey is WFILVCHHZTWQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O4S/c24-20-8-7-16(33-20)13-25-21-12-18(26-28(21)23(30)19-6-3-11-32-19)17-5-1-9-27(22(17)29)14-15-4-2-10-31-15/h1-12,25H,13-14H2.
What are the key properties of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one?
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one has a molecular weight of 480.93 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 133081246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).