5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole

C21H22N4O — CID 175860752

IUPAC5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole
SMILESCOc1cccc([C@H](C)N2C=CC(c3ccc4[nH]ncc4c3)=NC2C)c1
InChIInChI=1S/C21H22N4O/c1-14(16-5-4-6-19(12-16)26-3)25-10-9-20(23-15(25)2)17-7-8-21-18(11-17)13-22-24-21/h4-15H,1-3H3,(H,22,24)/t14-,15?/m0/s1
InChIKeyRZTQPMPGFAQUMZ-MLCCFXAWSA-N
MW346.43 g/mol
LogP4.30
Rot. Bonds4

About 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole

5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole (PubChem CID 175860752) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole
PubChem CID175860752
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole
SMILESCOc1cccc([C@H](C)N2C=CC(c3ccc4[nH]ncc4c3)=NC2C)c1
InChIInChI=1S/C21H22N4O/c1-14(16-5-4-6-19(12-16)26-3)25-10-9-20(23-15(25)2)17-7-8-21-18(11-17)13-22-24-21/h4-15H,1-3H3,(H,22,24)/t14-,15?/m0/s1
InChIKeyRZTQPMPGFAQUMZ-MLCCFXAWSA-N
XLogP4.30
TPSA53.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 169099717
N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide
CID 146208862
5-(4-methoxyphenoxy)-1H-indazole
CID 22349444
azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride
CID 175178296
ethane;6-methoxy-1H-indazole
CID 144719676
5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 25108997
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine
CID 145153580
6-[5-(3-methoxyphenyl)pyrazol-1-yl]-1H-indazole
CID 70981884
5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole
CID 141327784
N-(1H-indazol-5-yl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11773316

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole?
The IUPAC name of 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole (CID 175860752) is 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole.
What is the SMILES notation for 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole?
The canonical SMILES for 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole is COc1cccc([C@H](C)N2C=CC(c3ccc4[nH]ncc4c3)=NC2C)c1.
What is the InChIKey of 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole?
The InChIKey is RZTQPMPGFAQUMZ-MLCCFXAWSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14(16-5-4-6-19(12-16)26-3)25-10-9-20(23-15(25)2)17-7-8-21-18(11-17)13-22-24-21/h4-15H,1-3H3,(H,22,24)/t14-,15?/m0/s1.
What are the key properties of 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole?
5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole has a molecular weight of 346.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 175860752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).