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

C24H26N4O2 — CID 22511523

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)c1ccccc1)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C24H26N4O2/c1-4-20(24(30)25-15-16(2)18-10-6-5-7-11-18)28-21-13-9-8-12-19(21)23-26-22(29)14-17(3)27(23)28/h5-14,16,20H,4,15H2,1-3H3,(H,25,30)
InChIKeyAFPHIFMIEVMJPD-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.83
Rot. Bonds6

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

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide (PubChem CID 22511523) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide
PubChem CID22511523
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)c1ccccc1)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C24H26N4O2/c1-4-20(24(30)25-15-16(2)18-10-6-5-7-11-18)28-21-13-9-8-12-19(21)23-26-22(29)14-17(3)27(23)28/h5-14,16,20H,4,15H2,1-3H3,(H,25,30)
InChIKeyAFPHIFMIEVMJPD-UHFFFAOYSA-N
XLogP3.83
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide (CID 22511523) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide is CCC(C(=O)NCC(C)c1ccccc1)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide?
The InChIKey is AFPHIFMIEVMJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-4-20(24(30)25-15-16(2)18-10-6-5-7-11-18)28-21-13-9-8-12-19(21)23-26-22(29)14-17(3)27(23)28/h5-14,16,20H,4,15H2,1-3H3,(H,25,30).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide has a molecular weight of 402.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)butanamide is sourced from PubChem (CID 22511523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).