N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide

C20H26N4O2 — CID 22511507

IUPACN-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
SMILESCCC(C(=O)NCCC(C)C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C20H26N4O2/c1-5-16(20(26)21-11-10-13(2)3)24-17-9-7-6-8-15(17)19-22-18(25)12-14(4)23(19)24/h6-9,12-13,16H,5,10-11H2,1-4H3,(H,21,26)
InChIKeyKUYNOULBBYRENK-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.07
Rot. Bonds6

About N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide

N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide (PubChem CID 22511507) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
PubChem CID22511507
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
SMILESCCC(C(=O)NCCC(C)C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C20H26N4O2/c1-5-16(20(26)21-11-10-13(2)3)24-17-9-7-6-8-15(17)19-22-18(25)12-14(4)23(19)24/h6-9,12-13,16H,5,10-11H2,1-4H3,(H,21,26)
InChIKeyKUYNOULBBYRENK-UHFFFAOYSA-N
XLogP3.07
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide (CID 22511507) is N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide is CCC(C(=O)NCCC(C)C)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
The InChIKey is KUYNOULBBYRENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-16(20(26)21-11-10-13(2)3)24-17-9-7-6-8-15(17)19-22-18(25)12-14(4)23(19)24/h6-9,12-13,16H,5,10-11H2,1-4H3,(H,21,26).
What are the key properties of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide has a molecular weight of 354.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide is sourced from PubChem (CID 22511507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).