[6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid

C23H16Cl2N6O4 — CID 118456364

About [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid

[6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid (PubChem CID 118456364) has the molecular formula C23H16Cl2N6O4 and a molecular weight of 511.33 g/mol. Its IUPAC name is [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid.

Molecular Properties

• Compound Name: [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid
• PubChem CID: 118456364
• Molecular Formula: C23H16Cl2N6O4
• Molecular Weight: 511.33 g/mol
• Exact Mass: 510.06
• IUPAC Name: [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid
• SMILES: NC(=O)c1cc(NC(=O)c2cc(-c3ccc(Cl)c(NC(=O)O)n3)ccc2Cl)n(-c2ccccc2)n1
• InChI: InChI=1S/C23H16Cl2N6O4/c24-15-7-6-12(17-9-8-16(25)21(27-17)29-23(34)35)10-14(15)22(33)28-19-11-18(20(26)32)30-31(19)13-4-2-1-3-5-13/h1-11H,(H2,26,32)(H,27,29)(H,28,33)(H,34,35)
• InChIKey: YWHLAHCMJHBEJY-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 152.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.33
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid?

The IUPAC name of [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid (CID 118456364) is [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid.

What is the SMILES notation for [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid?

The canonical SMILES for [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid is NC(=O)c1cc(NC(=O)c2cc(-c3ccc(Cl)c(NC(=O)O)n3)ccc2Cl)n(-c2ccccc2)n1.

What is the InChIKey of [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid?

The InChIKey is YWHLAHCMJHBEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N6O4/c24-15-7-6-12(17-9-8-16(25)21(27-17)29-23(34)35)10-14(15)22(33)28-19-11-18(20(26)32)30-31(19)13-4-2-1-3-5-13/h1-11H,(H2,26,32)(H,27,29)(H,28,33)(H,34,35).

What are the key properties of [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid?

[6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid has a molecular weight of 511.33 g/mol, XLogP of 4.68, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid is sourced from PubChem (CID 118456364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).