2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

C22H24N8O3 — CID 164914349

IUPAC2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1Nc1cc(CC2CC2)on1
InChIInChI=1S/C22H24N8O3/c1-13(2)22-17(25-18-8-16(33-28-18)7-14-3-4-14)9-21(32)30(27-22)11-20(31)24-15-5-6-19-26-23-12-29(19)10-15/h5-6,8-10,12-14H,3-4,7,11H2,1-2H3,(H,24,31)(H,25,28)
InChIKeyKOYNCWOEFNNQBU-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.73
Rot. Bonds8

About 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (PubChem CID 164914349) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
PubChem CID164914349
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1Nc1cc(CC2CC2)on1
InChIInChI=1S/C22H24N8O3/c1-13(2)22-17(25-18-8-16(33-28-18)7-14-3-4-14)9-21(32)30(27-22)11-20(31)24-15-5-6-19-26-23-12-29(19)10-15/h5-6,8-10,12-14H,3-4,7,11H2,1-2H3,(H,24,31)(H,25,28)
InChIKeyKOYNCWOEFNNQBU-UHFFFAOYSA-N
XLogP2.73
TPSA132.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (CID 164914349) is 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1Nc1cc(CC2CC2)on1.
What is the InChIKey of 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The InChIKey is KOYNCWOEFNNQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-13(2)22-17(25-18-8-16(33-28-18)7-14-3-4-14)9-21(32)30(27-22)11-20(31)24-15-5-6-19-26-23-12-29(19)10-15/h5-6,8-10,12-14H,3-4,7,11H2,1-2H3,(H,24,31)(H,25,28).
What are the key properties of 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide has a molecular weight of 448.49 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 164914349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).