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Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C18H26N6O3 — CID 155066846

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(N3CCc4cnn(C(C)C)c4C3)n2)CC1
InChIInChI=1S/C18H26N6O3/c1-12(2)24-15-11-23(9-6-14(15)10-19-24)17-20-16(21-27-17)13-4-7-22(8-5-13)18(25)26-3/h10,12-13H,4-9,11H2,1-3H3
InChIKeyGYHJQNOTSOBVSI-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.36
Rot. Bonds3

About Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 155066846) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound NameMethyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID155066846
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Namemethyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(N3CCc4cnn(C(C)C)c4C3)n2)CC1
InChIInChI=1S/C18H26N6O3/c1-12(2)24-15-11-23(9-6-14(15)10-19-24)17-20-16(21-27-17)13-4-7-22(8-5-13)18(25)26-3/h10,12-13H,4-9,11H2,1-3H3
InChIKeyGYHJQNOTSOBVSI-UHFFFAOYSA-N
XLogP2.36
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 155066846) is methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2noc(N3CCc4cnn(C(C)C)c4C3)n2)CC1.
What is the InChIKey of Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is GYHJQNOTSOBVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-12(2)24-15-11-23(9-6-14(15)10-19-24)17-20-16(21-27-17)13-4-7-22(8-5-13)18(25)26-3/h10,12-13H,4-9,11H2,1-3H3.
What are the key properties of Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 374.45 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155066846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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