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

C20H26N4O3 — CID 22511528

IUPACN-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
SMILESCCOCCCNC(=O)C(CC)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C20H26N4O3/c1-4-16(20(26)21-11-8-12-27-5-2)24-17-10-7-6-9-15(17)19-22-18(25)13-14(3)23(19)24/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3,(H,21,26)
InChIKeyUFWXQAUGLCHIHO-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.45
Rot. Bonds8

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

N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide (PubChem CID 22511528) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
PubChem CID22511528
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
SMILESCCOCCCNC(=O)C(CC)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C20H26N4O3/c1-4-16(20(26)21-11-8-12-27-5-2)24-17-10-7-6-9-15(17)19-22-18(25)13-14(3)23(19)24/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3,(H,21,26)
InChIKeyUFWXQAUGLCHIHO-UHFFFAOYSA-N
XLogP2.45
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide (CID 22511528) is N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide is CCOCCCNC(=O)C(CC)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
The InChIKey is UFWXQAUGLCHIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-16(20(26)21-11-8-12-27-5-2)24-17-10-7-6-9-15(17)19-22-18(25)13-14(3)23(19)24/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3,(H,21,26).
What are the key properties of N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide has a molecular weight of 370.45 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide is sourced from PubChem (CID 22511528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).