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

C23H24N4O2 — CID 22511436

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)NCC(C)c3ccccc3)n12
InChIInChI=1S/C23H24N4O2/c1-15(18-9-5-4-6-10-18)14-24-23(29)17(3)27-20-12-8-7-11-19(20)22-25-21(28)13-16(2)26(22)27/h4-13,15,17H,14H2,1-3H3,(H,24,29)
InChIKeyGJNPHDASDGOEIO-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.44
Rot. Bonds5

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

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide (PubChem CID 22511436) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide
PubChem CID22511436
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)NCC(C)c3ccccc3)n12
InChIInChI=1S/C23H24N4O2/c1-15(18-9-5-4-6-10-18)14-24-23(29)17(3)27-20-12-8-7-11-19(20)22-25-21(28)13-16(2)26(22)27/h4-13,15,17H,14H2,1-3H3,(H,24,29)
InChIKeyGJNPHDASDGOEIO-UHFFFAOYSA-N
XLogP3.44
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.44
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)propanamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide (CID 22511436) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide is Cc1cc(=O)nc2c3ccccc3n(C(C)C(=O)NCC(C)c3ccccc3)n12.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide?
The InChIKey is GJNPHDASDGOEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(18-9-5-4-6-10-18)14-24-23(29)17(3)27-20-12-8-7-11-19(20)22-25-21(28)13-16(2)26(22)27/h4-13,15,17H,14H2,1-3H3,(H,24,29).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-phenylpropyl)propanamide has a molecular weight of 388.47 g/mol, XLogP of 3.44, 5 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)propanamide is sourced from PubChem (CID 22511436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).