N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide

C16H14ClN5O3 — CID 168980094

IUPACN-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ncc(Cl)cn2)c(=O)c2cc(C3CC3)oc12
InChIInChI=1S/C16H14ClN5O3/c1-8-14-11(4-12(25-14)9-2-3-9)15(24)22(21-8)7-13(23)20-16-18-5-10(17)6-19-16/h4-6,9H,2-3,7H2,1H3,(H,18,19,20,23)
InChIKeyGAPSAHIBPOFINR-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.26
Rot. Bonds4

About N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide

N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide (PubChem CID 168980094) has the molecular formula C16H14ClN5O3 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide
PubChem CID168980094
Molecular FormulaC16H14ClN5O3
Molecular Weight359.77 g/mol
Exact Mass359.08
IUPAC NameN-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ncc(Cl)cn2)c(=O)c2cc(C3CC3)oc12
InChIInChI=1S/C16H14ClN5O3/c1-8-14-11(4-12(25-14)9-2-3-9)15(24)22(21-8)7-13(23)20-16-18-5-10(17)6-19-16/h4-6,9H,2-3,7H2,1H3,(H,18,19,20,23)
InChIKeyGAPSAHIBPOFINR-UHFFFAOYSA-N
XLogP2.26
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide (CID 168980094) is N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide is Cc1nn(CC(=O)Nc2ncc(Cl)cn2)c(=O)c2cc(C3CC3)oc12.
What is the InChIKey of N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide?
The InChIKey is GAPSAHIBPOFINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3/c1-8-14-11(4-12(25-14)9-2-3-9)15(24)22(21-8)7-13(23)20-16-18-5-10(17)6-19-16/h4-6,9H,2-3,7H2,1H3,(H,18,19,20,23).
What are the key properties of N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide?
N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide has a molecular weight of 359.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 168980094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).