4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

C22H24ClN5O2 — CID 18204721

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)nc3)cc2)c(C)c1Cl
InChIInChI=1S/C22H24ClN5O2/c1-15-21(23)16(2)28(26-15)19-6-4-18(5-7-19)22(29)25-14-17-3-8-20(24-13-17)27-9-11-30-12-10-27/h3-8,13H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyLWWGKTPYWSECTN-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.30
Rot. Bonds5

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (PubChem CID 18204721) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
PubChem CID18204721
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)nc3)cc2)c(C)c1Cl
InChIInChI=1S/C22H24ClN5O2/c1-15-21(23)16(2)28(26-15)19-6-4-18(5-7-19)22(29)25-14-17-3-8-20(24-13-17)27-9-11-30-12-10-27/h3-8,13H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyLWWGKTPYWSECTN-UHFFFAOYSA-N
XLogP3.30
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 16602299
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide
CID 24646619
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42474431
3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55745317
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 18139639
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
1-(4-chlorophenyl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78879226

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (CID 18204721) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is Cc1nn(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)nc3)cc2)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is LWWGKTPYWSECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-15-21(23)16(2)28(26-15)19-6-4-18(5-7-19)22(29)25-14-17-3-8-20(24-13-17)27-9-11-30-12-10-27/h3-8,13H,9-12,14H2,1-2H3,(H,25,29).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 425.92 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 18204721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).