2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide

C20H18Cl2N8O — CID 167054708

IUPAC2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide
SMILESCCNc1cn(-c2cncc(CC(=O)Nc3cn(-c4cccnc4)nc3Cl)c2)nc1Cl
InChIInChI=1S/C20H18Cl2N8O/c1-2-25-16-11-30(27-19(16)21)15-6-13(8-24-10-15)7-18(31)26-17-12-29(28-20(17)22)14-4-3-5-23-9-14/h3-6,8-12,25H,2,7H2,1H3,(H,26,31)
InChIKeyVSUHUYQLWJRNDO-UHFFFAOYSA-N
MW457.33 g/mol
LogP3.77
Rot. Bonds7

About 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide

2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide (PubChem CID 167054708) has the molecular formula C20H18Cl2N8O and a molecular weight of 457.33 g/mol. Its IUPAC name is 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide
PubChem CID167054708
Molecular FormulaC20H18Cl2N8O
Molecular Weight457.33 g/mol
Exact Mass456.10
IUPAC Name2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide
SMILESCCNc1cn(-c2cncc(CC(=O)Nc3cn(-c4cccnc4)nc3Cl)c2)nc1Cl
InChIInChI=1S/C20H18Cl2N8O/c1-2-25-16-11-30(27-19(16)21)15-6-13(8-24-10-15)7-18(31)26-17-12-29(28-20(17)22)14-4-3-5-23-9-14/h3-6,8-12,25H,2,7H2,1H3,(H,26,31)
InChIKeyVSUHUYQLWJRNDO-UHFFFAOYSA-N
XLogP3.77
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide (CID 167054708) is 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide is CCNc1cn(-c2cncc(CC(=O)Nc3cn(-c4cccnc4)nc3Cl)c2)nc1Cl.
What is the InChIKey of 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide?
The InChIKey is VSUHUYQLWJRNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N8O/c1-2-25-16-11-30(27-19(16)21)15-6-13(8-24-10-15)7-18(31)26-17-12-29(28-20(17)22)14-4-3-5-23-9-14/h3-6,8-12,25H,2,7H2,1H3,(H,26,31).
What are the key properties of 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide?
2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide has a molecular weight of 457.33 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-chloro-4-(ethylamino)pyrazol-1-yl]-3-pyridinyl]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 167054708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).