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

C23H24N4O2 — CID 3454656

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)Nc3ccc(C(C)C)cc3)n12
InChIInChI=1S/C23H24N4O2/c1-14(2)17-9-11-18(12-10-17)24-23(29)16(4)27-20-8-6-5-7-19(20)22-25-21(28)13-15(3)26(22)27/h5-14,16H,1-4H3,(H,24,29)
InChIKeyJINTZQZCAXTNPC-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.28
Rot. Bonds4

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

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 3454656) 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-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID3454656
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)Nc3ccc(C(C)C)cc3)n12
InChIInChI=1S/C23H24N4O2/c1-14(2)17-9-11-18(12-10-17)24-23(29)16(4)27-20-8-6-5-7-19(20)22-25-21(28)13-15(3)26(22)27/h5-14,16H,1-4H3,(H,24,29)
InChIKeyJINTZQZCAXTNPC-UHFFFAOYSA-N
XLogP4.28
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.28
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-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide (CID 3454656) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide is Cc1cc(=O)nc2c3ccccc3n(C(C)C(=O)Nc3ccc(C(C)C)cc3)n12.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is JINTZQZCAXTNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(2)17-9-11-18(12-10-17)24-23(29)16(4)27-20-8-6-5-7-19(20)22-25-21(28)13-15(3)26(22)27/h5-14,16H,1-4H3,(H,24,29).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 388.47 g/mol, XLogP of 4.28, 4 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-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 3454656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).