5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide

C22H16Cl2N6O2 — CID 118456250

IUPAC5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H16Cl2N6O2/c23-15-10-16(24)14(9-13(15)17-7-4-8-19(25)27-17)22(32)28-20-11-18(21(26)31)29-30(20)12-5-2-1-3-6-12/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)
InChIKeyCISYJEGKDYOMML-UHFFFAOYSA-N
MW467.32 g/mol
LogP4.17
Rot. Bonds5

About 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide

5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118456250) has the molecular formula C22H16Cl2N6O2 and a molecular weight of 467.32 g/mol. Its IUPAC name is 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118456250
Molecular FormulaC22H16Cl2N6O2
Molecular Weight467.32 g/mol
Exact Mass466.07
IUPAC Name5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H16Cl2N6O2/c23-15-10-16(24)14(9-13(15)17-7-4-8-19(25)27-17)22(32)28-20-11-18(21(26)31)29-30(20)12-5-2-1-3-6-12/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)
InChIKeyCISYJEGKDYOMML-UHFFFAOYSA-N
XLogP4.17
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118456250) is 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide is NC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)c(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is CISYJEGKDYOMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N6O2/c23-15-10-16(24)14(9-13(15)17-7-4-8-19(25)27-17)22(32)28-20-11-18(21(26)31)29-30(20)12-5-2-1-3-6-12/h1-11H,(H2,25,27)(H2,26,31)(H,28,32).
What are the key properties of 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 467.32 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(6-amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118456250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).