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

C24H20ClN5O3S — CID 57436936

IUPAC5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(N3CCOCC3=O)cc2)nc1-c1ccncc1)c1ccc(Cl)s1
InChIInChI=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)
InChIKeyYOYDMRUDKRRAKB-UHFFFAOYSA-N
MW493.98 g/mol
LogP3.94
Rot. Bonds6

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 Name5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID57436936
Molecular FormulaC24H20ClN5O3S
Molecular Weight493.98 g/mol
Exact Mass493.10
IUPAC Name5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(N3CCOCC3=O)cc2)nc1-c1ccncc1)c1ccc(Cl)s1
InChIInChI=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)
InChIKeyYOYDMRUDKRRAKB-UHFFFAOYSA-N
XLogP3.94
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.98
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).