5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide

C24H20ClN5O3S — CID 57436936

About 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 57436936) has the molecular formula C24H20ClN5O3S and a molecular weight of 493.98 g/mol. Its IUPAC name is 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 57436936
• Molecular Formula: C24H20ClN5O3S
• Molecular Weight: 493.98 g/mol
• Exact Mass: 493.10
• IUPAC Name: 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NCc1cn(-c2ccc(N3CCOCC3=O)cc2)nc1-c1ccncc1)c1ccc(Cl)s1
• InChI: InChI=1S/C24H20ClN5O3S/c25-21-6-5-20(34-21)24(32)27-13-17-14-30(28-23(17)16-7-9-26-10-8-16)19-3-1-18(2-4-19)29-11-12-33-15-22(29)31/h1-10,14H,11-13,15H2,(H,27,32)
• InChIKey: YOYDMRUDKRRAKB-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.98
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide (CID 57436936) is 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide is O=C(NCc1cn(-c2ccc(N3CCOCC3=O)cc2)nc1-c1ccncc1)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide?

The InChIKey is YOYDMRUDKRRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S/c25-21-6-5-20(34-21)24(32)27-13-17-14-30(28-23(17)16-7-9-26-10-8-16)19-3-1-18(2-4-19)29-11-12-33-15-22(29)31/h1-10,14H,11-13,15H2,(H,27,32).

What are the key properties of 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 493.98 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 57436936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).