1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one

C23H23N5O2 — CID 122620864

IUPAC1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
SMILESCn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1ccccc1
InChIInChI=1S/C23H23N5O2/c1-26-22(29)20-8-7-18(13-21(20)28(26)16-17-5-3-2-4-6-17)19-14-24-23(25-15-19)27-9-11-30-12-10-27/h2-8,13-15H,9-12,16H2,1H3
InChIKeySDDDUMHHFOMSSI-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.68
Rot. Bonds4

About 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one

1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one (PubChem CID 122620864) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one.

Molecular Properties

Compound Name1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
PubChem CID122620864
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
SMILESCn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1ccccc1
InChIInChI=1S/C23H23N5O2/c1-26-22(29)20-8-7-18(13-21(20)28(26)16-17-5-3-2-4-6-17)19-14-24-23(25-15-19)27-9-11-30-12-10-27/h2-8,13-15H,9-12,16H2,1H3
InChIKeySDDDUMHHFOMSSI-UHFFFAOYSA-N
XLogP2.68
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(2-piperidin-1-ylpyrimidin-5-yl)indazol-3-one
CID 122629452
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
CID 122620846
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-yl]indazol-3-one
CID 122621921
6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one
CID 150780611
1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[3-(oxetan-3-yl)azetidin-1-yl]pyrimidin-5-yl]indazol-3-one
CID 160704472
methyl 4-(difluoromethoxy)-3-[2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-3-oxoindazol-1-yl]benzoate
CID 122634380
ethane;2-hydroxy-6-(2-morpholin-4-ylpyrimidin-5-yl)cyclohepta-2,4,6-trien-1-one
CID 156729078
7-[5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 122620469
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898
6-[2-(1-benzyl-3-methylpyrrolidin-3-yl)pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one
CID 122620747
1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one
CID 122620386
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(5-methylcyclopenta-1,4-dien-1-yl)methyl]indazol-3-one
CID 159066360

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
The IUPAC name of 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one (CID 122620864) is 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one.
What is the SMILES notation for 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
The canonical SMILES for 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one is Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
The InChIKey is SDDDUMHHFOMSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-26-22(29)20-8-7-18(13-21(20)28(26)16-17-5-3-2-4-6-17)19-14-24-23(25-15-19)27-9-11-30-12-10-27/h2-8,13-15H,9-12,16H2,1H3.
What are the key properties of 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one has a molecular weight of 401.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one is sourced from PubChem (CID 122620864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).