6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one

C24H25N5O2 — CID 150780611

IUPAC6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one
SMILESCCC(c1ccccc1)n1[nH]c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc21
InChIInChI=1S/C24H25N5O2/c1-2-21(17-6-4-3-5-7-17)29-22-14-18(8-9-20(22)23(30)27-29)19-15-25-24(26-16-19)28-10-12-31-13-11-28/h3-9,14-16,21H,2,10-13H2,1H3,(H,27,30)
InChIKeyKBUDMQGBBFRMJT-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.62
Rot. Bonds5

About 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one

6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one (PubChem CID 150780611) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one.

Molecular Properties

Compound Name6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one
PubChem CID150780611
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one
SMILESCCC(c1ccccc1)n1[nH]c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc21
InChIInChI=1S/C24H25N5O2/c1-2-21(17-6-4-3-5-7-17)29-22-14-18(8-9-20(22)23(30)27-29)19-15-25-24(26-16-19)28-10-12-31-13-11-28/h3-9,14-16,21H,2,10-13H2,1H3,(H,27,30)
InChIKeyKBUDMQGBBFRMJT-UHFFFAOYSA-N
XLogP3.62
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
CID 122620864
ethane;2-hydroxy-6-(2-morpholin-4-ylpyrimidin-5-yl)cyclohepta-2,4,6-trien-1-one
CID 156729078
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
CID 122620846
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898
(4S)-7-(2-morpholin-4-ylpyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 122621753
5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one
CID 71539753
N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443096
N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 155900630
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)quinolin-4-amine
CID 126532375
methyl 4-(difluoromethoxy)-3-[2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-3-oxoindazol-1-yl]benzoate
CID 122634380
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one?
The IUPAC name of 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one (CID 150780611) is 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one.
What is the SMILES notation for 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one?
The canonical SMILES for 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one is CCC(c1ccccc1)n1[nH]c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc21.
What is the InChIKey of 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one?
The InChIKey is KBUDMQGBBFRMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-2-21(17-6-4-3-5-7-17)29-22-14-18(8-9-20(22)23(30)27-29)19-15-25-24(26-16-19)28-10-12-31-13-11-28/h3-9,14-16,21H,2,10-13H2,1H3,(H,27,30).
What are the key properties of 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one?
6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one has a molecular weight of 415.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(1-phenylpropyl)-2H-indazol-3-one is sourced from PubChem (CID 150780611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).