3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole

C24H33N5O — CID 141414783

IUPAC3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole
SMILESCC(C)n1nc(-c2ncc(C3CCN(CC4CCOCC4)CC3)[nH]2)c2ccccc21
InChIInChI=1S/C24H33N5O/c1-17(2)29-22-6-4-3-5-20(22)23(27-29)24-25-15-21(26-24)19-7-11-28(12-8-19)16-18-9-13-30-14-10-18/h3-6,15,17-19H,7-14,16H2,1-2H3,(H,25,26)
InChIKeyZHFVDGVTIUTRGJ-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.61
Rot. Bonds5

About 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole

3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole (PubChem CID 141414783) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole.

Molecular Properties

Compound Name3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole
PubChem CID141414783
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole
SMILESCC(C)n1nc(-c2ncc(C3CCN(CC4CCOCC4)CC3)[nH]2)c2ccccc21
InChIInChI=1S/C24H33N5O/c1-17(2)29-22-6-4-3-5-20(22)23(27-29)24-25-15-21(26-24)19-7-11-28(12-8-19)16-18-9-13-30-14-10-18/h3-6,15,17-19H,7-14,16H2,1-2H3,(H,25,26)
InChIKeyZHFVDGVTIUTRGJ-UHFFFAOYSA-N
XLogP4.61
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171346845
bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid
CID 174693197
4-O-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylcarbamoyl] 1-O-(2-propan-2-ylindazol-3-yl) (E)-but-2-enedioate
CID 141453534
2-methyl-4-[4-[5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-2-ol;oxalic acid
CID 171344196
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide
CID 54730248
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171354359
ethane;2-[4-(oxan-4-ylmethyl)piperazin-1-yl]aniline
CID 156797075
2,3-dihydroxybutanedioic acid;N-[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171352575
4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95202871

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole?
The IUPAC name of 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole (CID 141414783) is 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole.
What is the SMILES notation for 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole?
The canonical SMILES for 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole is CC(C)n1nc(-c2ncc(C3CCN(CC4CCOCC4)CC3)[nH]2)c2ccccc21.
What is the InChIKey of 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole?
The InChIKey is ZHFVDGVTIUTRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-17(2)29-22-6-4-3-5-20(22)23(27-29)24-25-15-21(26-24)19-7-11-28(12-8-19)16-18-9-13-30-14-10-18/h3-6,15,17-19H,7-14,16H2,1-2H3,(H,25,26).
What are the key properties of 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole?
3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole has a molecular weight of 407.56 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole is sourced from PubChem (CID 141414783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).