2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole

C21H27N5O — CID 71536210

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccc21
InChIInChI=1S/C21H27N5O/c1-14(2)26-18-6-4-3-5-17(18)19(24-26)21-23-22-20(27-21)16-9-11-25(12-10-16)13-15-7-8-15/h3-6,14-16H,7-13H2,1-2H3
InChIKeyQZTKHUMXLKMPFW-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.26
Rot. Bonds5

About 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole

2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 71536210) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID71536210
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccc21
InChIInChI=1S/C21H27N5O/c1-14(2)26-18-6-4-3-5-17(18)19(24-26)21-23-22-20(27-21)16-9-11-25(12-10-16)13-15-7-8-15/h3-6,14-16H,7-13H2,1-2H3
InChIKeyQZTKHUMXLKMPFW-UHFFFAOYSA-N
XLogP4.26
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

Suvn-d4010
CID 71508291
(1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-methyl-1Hindazole-3-carboxylate
CID 11522273
3-[5-(1-Cyclobutylmethyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1-isopropyl-1H-indazole
CID 71536206
1-Isopropyl-3-[5-(1-isopropyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1H-indazole
CID 71536209
3-[5-(1-Cyclopentyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1-isopropyl-1H-indazole
CID 71536468
1-Isopropyl-3-{5-[1-(tetrahydro-pyran-4-yl)-piperidin-4-yl]-[1,3,4]oxadiazol-2-yl}-1H-indazole
CID 71536747
5-HT4R agonist-1
CID 138376515
2-[1-(3-Methoxypropyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole
CID 145972573
2-(1-Propan-2-ylpiperidin-4-yl)-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole
CID 145975297
3-[5-(1-cyclobutyl piperidin-4-yl methyl)-[1,3,4]oxadiazol-2-yl]-1-isopropyl-1H-indazole
CID 71534484
1-Isopropyl-3-{5-[1-(2-methoxy-ethyl)-piperidin-4-yl]-[1,3,4]oxadiazol-2-yl}-1H-indazole
CID 71536207
3-[5-(1-Cyclobutyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1-isopropyl-1H-indazole
CID 71536208

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 71536210) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is CC(C)n1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccc21.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is QZTKHUMXLKMPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)26-18-6-4-3-5-17(18)19(24-26)21-23-22-20(27-21)16-9-11-25(12-10-16)13-15-7-8-15/h3-6,14-16H,7-13H2,1-2H3.
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 365.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71536210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).