3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C24H24N4O — CID 55476778

IUPAC3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C24H24N4O/c1-15-14-18-8-4-7-11-22(18)27(15)23(29)13-12-19-16(2)25-24-20-9-5-6-10-21(20)26-28(24)17(19)3/h4-11,15H,12-14H2,1-3H3
InChIKeyHICAXAMFRKPWOA-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.41
Rot. Bonds3

About 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 55476778) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID55476778
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C24H24N4O/c1-15-14-18-8-4-7-11-22(18)27(15)23(29)13-12-19-16(2)25-24-20-9-5-6-10-21(20)26-28(24)17(19)3/h4-11,15H,12-14H2,1-3H3
InChIKeyHICAXAMFRKPWOA-UHFFFAOYSA-N
XLogP4.41
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 55476778) is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is HICAXAMFRKPWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-15-14-18-8-4-7-11-22(18)27(15)23(29)13-12-19-16(2)25-24-20-9-5-6-10-21(20)26-28(24)17(19)3/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 55476778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).