N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide

C19H15ClN4O2 — CID 5068851

IUPACN-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)n12
InChIInChI=1S/C19H15ClN4O2/c1-12-10-17(25)22-19-15-4-2-3-5-16(15)23(24(12)19)11-18(26)21-14-8-6-13(20)7-9-14/h2-10H,11H2,1H3,(H,21,26)
InChIKeyIKQOMLRCAODFQM-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.25
Rot. Bonds3

About N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide

N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 5068851) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID5068851
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)n12
InChIInChI=1S/C19H15ClN4O2/c1-12-10-17(25)22-19-15-4-2-3-5-16(15)23(24(12)19)11-18(26)21-14-8-6-13(20)7-9-14/h2-10H,11H2,1H3,(H,21,26)
InChIKeyIKQOMLRCAODFQM-UHFFFAOYSA-N
XLogP3.25
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 5068851) is N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is Cc1cc(=O)nc2c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)n12.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is IKQOMLRCAODFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-10-17(25)22-19-15-4-2-3-5-16(15)23(24(12)19)11-18(26)21-14-8-6-13(20)7-9-14/h2-10H,11H2,1H3,(H,21,26).
What are the key properties of N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 366.81 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is sourced from PubChem (CID 5068851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).