3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one

C24H24ClN5O3S2 — CID 137369612

IUPAC3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
SMILESNc1c(-c2cccn(CCN3CCOCC3)c2=O)nn(C(=O)c2ccsc2)c1Cc1ccc(Cl)s1
InChIInChI=1S/C24H24ClN5O3S2/c25-20-4-3-17(35-20)14-19-21(26)22(27-30(19)23(31)16-5-13-34-15-16)18-2-1-6-29(24(18)32)8-7-28-9-11-33-12-10-28/h1-6,13,15H,7-12,14,26H2
InChIKeyRMCVTUWFSUZQJP-UHFFFAOYSA-N
MW530.08 g/mol
LogP3.68
Rot. Bonds7

About 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one

3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one (PubChem CID 137369612) has the molecular formula C24H24ClN5O3S2 and a molecular weight of 530.08 g/mol. Its IUPAC name is 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
PubChem CID137369612
Molecular FormulaC24H24ClN5O3S2
Molecular Weight530.08 g/mol
Exact Mass529.10
IUPAC Name3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
SMILESNc1c(-c2cccn(CCN3CCOCC3)c2=O)nn(C(=O)c2ccsc2)c1Cc1ccc(Cl)s1
InChIInChI=1S/C24H24ClN5O3S2/c25-20-4-3-17(35-20)14-19-21(26)22(27-30(19)23(31)16-5-13-34-15-16)18-2-1-6-29(24(18)32)8-7-28-9-11-33-12-10-28/h1-6,13,15H,7-12,14,26H2
InChIKeyRMCVTUWFSUZQJP-UHFFFAOYSA-N
XLogP3.68
TPSA95.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.08
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one?
The IUPAC name of 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one (CID 137369612) is 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one?
The canonical SMILES for 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one is Nc1c(-c2cccn(CCN3CCOCC3)c2=O)nn(C(=O)c2ccsc2)c1Cc1ccc(Cl)s1.
What is the InChIKey of 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one?
The InChIKey is RMCVTUWFSUZQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S2/c25-20-4-3-17(35-20)14-19-21(26)22(27-30(19)23(31)16-5-13-34-15-16)18-2-1-6-29(24(18)32)8-7-28-9-11-33-12-10-28/h1-6,13,15H,7-12,14,26H2.
What are the key properties of 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one?
3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one has a molecular weight of 530.08 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one is sourced from PubChem (CID 137369612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).