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

C18H16N4O3 — CID 5069008

IUPACN-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCc3ccco3)n12
InChIInChI=1S/C18H16N4O3/c1-12-9-16(23)20-18-14-6-2-3-7-15(14)21(22(12)18)11-17(24)19-10-13-5-4-8-25-13/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyWFKCMLVWRVHFHS-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.87
Rot. Bonds4

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

N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 5069008) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID5069008
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCc3ccco3)n12
InChIInChI=1S/C18H16N4O3/c1-12-9-16(23)20-18-14-6-2-3-7-15(14)21(22(12)18)11-17(24)19-10-13-5-4-8-25-13/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyWFKCMLVWRVHFHS-UHFFFAOYSA-N
XLogP1.87
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 5072346
6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one
CID 3709734
2-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 95857463
N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747939
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 53193231
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 20893856
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
N-(furan-2-ylmethyl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16896715

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 5069008) is N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCc3ccco3)n12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is WFKCMLVWRVHFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12-9-16(23)20-18-14-6-2-3-7-15(14)21(22(12)18)11-17(24)19-10-13-5-4-8-25-13/h2-9H,10-11H2,1H3,(H,19,24).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 336.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is sourced from PubChem (CID 5069008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).