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

C18H22N4O3 — CID 5083539

IUPACN-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCOCCCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C18H22N4O3/c1-12-11-16(23)20-17-14-7-4-5-8-15(14)22(21(12)17)13(2)18(24)19-9-6-10-25-3/h4-5,7-8,11,13H,6,9-10H2,1-3H3,(H,19,24)
InChIKeyUELRBBLRCVAMME-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.67
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5083539) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5083539
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCOCCCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C18H22N4O3/c1-12-11-16(23)20-17-14-7-4-5-8-15(14)22(21(12)17)13(2)18(24)19-9-6-10-25-3/h4-5,7-8,11,13H,6,9-10H2,1-3H3,(H,19,24)
InChIKeyUELRBBLRCVAMME-UHFFFAOYSA-N
XLogP1.67
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.67
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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Related Compounds

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide
CID 3453487
N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
CID 22511528
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 92678667
N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5075450
N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
CID 126457281
N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 3433217
benzyl-[3-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]propyl]-propan-2-ylazanium
CID 3605519
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426
butan-2-yl-cyclohexyl-[2-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]ethyl]azanium
CID 3612648
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
CID 3612650
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60783044

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5083539) is N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is COCCCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is UELRBBLRCVAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-11-16(23)20-17-14-7-4-5-8-15(14)22(21(12)17)13(2)18(24)19-9-6-10-25-3/h4-5,7-8,11,13H,6,9-10H2,1-3H3,(H,19,24).
What are the key properties of N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5083539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).