3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole

C19H16N4O — CID 156578148

IUPAC3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccncn1
InChIInChI=1S/C19H16N4O/c1-13(17-9-10-20-12-21-17)24-15-7-8-18-16(11-15)19(23-22-18)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23)
InChIKeyGKMINKOAULRDDJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.16
Rot. Bonds4

About 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole

3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole (PubChem CID 156578148) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole.

Molecular Properties

Compound Name3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
PubChem CID156578148
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccncn1
InChIInChI=1S/C19H16N4O/c1-13(17-9-10-20-12-21-17)24-15-7-8-18-16(11-15)19(23-22-18)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23)
InChIKeyGKMINKOAULRDDJ-UHFFFAOYSA-N
XLogP4.16
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
CID 156577910
1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane
CID 156577960
5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline
CID 171830430
3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole
CID 90732532
3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole
CID 167172229
2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 22479879
4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-[(Z)-2-hydroxyprop-1-enyl]benzamide
CID 134593643
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indazole
CID 170647467
[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
CID 156565634
7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 166462287
[5-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
CID 156577934
2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid
CID 165127497

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
The IUPAC name of 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole (CID 156578148) is 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole.
What is the SMILES notation for 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
The canonical SMILES for 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole is CC(Oc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccncn1.
What is the InChIKey of 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
The InChIKey is GKMINKOAULRDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13(17-9-10-20-12-21-17)24-15-7-8-18-16(11-15)19(23-22-18)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23).
What are the key properties of 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole has a molecular weight of 316.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole is sourced from PubChem (CID 156578148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).