2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide

C25H28N4O5 — CID 4249781

IUPAC2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2c3cc(OC)c(OC)cc3c3nc(=O)cc(C)n32)cc1
InChIInChI=1S/C25H28N4O5/c1-5-10-34-18-8-6-17(7-9-18)14-26-24(31)15-28-20-13-22(33-4)21(32-3)12-19(20)25-27-23(30)11-16(2)29(25)28/h6-9,11-13H,5,10,14-15H2,1-4H3,(H,26,31)
InChIKeyDZHJHQYGHZCHQU-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.08
Rot. Bonds9

About 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide

2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 4249781) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID4249781
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2c3cc(OC)c(OC)cc3c3nc(=O)cc(C)n32)cc1
InChIInChI=1S/C25H28N4O5/c1-5-10-34-18-8-6-17(7-9-18)14-26-24(31)15-28-20-13-22(33-4)21(32-3)12-19(20)25-27-23(30)11-16(2)29(25)28/h6-9,11-13H,5,10,14-15H2,1-4H3,(H,26,31)
InChIKeyDZHJHQYGHZCHQU-UHFFFAOYSA-N
XLogP3.08
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
CID 3612650
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 5068847
2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 22509892
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 4546851
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 3170398
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-[(4-butoxyphenyl)methyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000141
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 110921436
2-(4-tert-butylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 54777035

Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide (CID 4249781) is 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)Cn2c3cc(OC)c(OC)cc3c3nc(=O)cc(C)n32)cc1.
What is the InChIKey of 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is DZHJHQYGHZCHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-5-10-34-18-8-6-17(7-9-18)14-26-24(31)15-28-20-13-22(33-4)21(32-3)12-19(20)25-27-23(30)11-16(2)29(25)28/h6-9,11-13H,5,10,14-15H2,1-4H3,(H,26,31).
What are the key properties of 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 464.52 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4249781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).