(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C23H30N6O2 — CID 134478198

IUPAC(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)C5CCCN5C)CC4)n3)cc21
InChIInChI=1S/C23H30N6O2/c1-15(2)29-20-13-17(6-7-18(20)14-24-29)21-25-22(31-26-21)16-8-11-28(12-9-16)23(30)19-5-4-10-27(19)3/h6-7,13-16,19H,4-5,8-12H2,1-3H3
InChIKeyAQTCXOKXTSTZCH-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.47
Rot. Bonds4

About (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 134478198) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID134478198
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)C5CCCN5C)CC4)n3)cc21
InChIInChI=1S/C23H30N6O2/c1-15(2)29-20-13-17(6-7-18(20)14-24-29)21-25-22(31-26-21)16-8-11-28(12-9-16)23(30)19-5-4-10-27(19)3/h6-7,13-16,19H,4-5,8-12H2,1-3H3
InChIKeyAQTCXOKXTSTZCH-UHFFFAOYSA-N
XLogP3.47
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

tert-butyl N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]carbamate
CID 153308155
5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide
CID 152870328
tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
CID 134477858
(1-methylcyclopropyl) 4-[3-[1-(difluoromethyl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 153308090
pentyl 4-[3-[1-(difluoromethyl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 155066728
cyclopropyl-[3-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 127868766
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500
4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 139003901
tert-butyl 4-[3-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134478013
4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134477787
tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 134477788
tert-butyl 3-[6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]azetidine-1-carboxylate;ethane
CID 142338166

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 134478198) is (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)C5CCCN5C)CC4)n3)cc21.
What is the InChIKey of (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is AQTCXOKXTSTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15(2)29-20-13-17(6-7-18(20)14-24-29)21-25-22(31-26-21)16-8-11-28(12-9-16)23(30)19-5-4-10-27(19)3/h6-7,13-16,19H,4-5,8-12H2,1-3H3.
What are the key properties of (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 134478198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).