2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile

C21H26N6O2 — CID 122193947

IUPAC2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCOC3)n2)c1
InChIInChI=1S/C21H26N6O2/c22-11-15-1-5-23-20(9-15)24-21-10-19(27(25-21)17-4-8-28-12-17)16-2-6-26(7-3-16)18-13-29-14-18/h1,5,9-10,16-18H,2-4,6-8,12-14H2,(H,23,24,25)
InChIKeyKVTRUPCBRDHKMC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.43
Rot. Bonds5

About 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile

2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile (PubChem CID 122193947) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile
PubChem CID122193947
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCOC3)n2)c1
InChIInChI=1S/C21H26N6O2/c22-11-15-1-5-23-20(9-15)24-21-10-19(27(25-21)17-4-8-28-12-17)16-2-6-26(7-3-16)18-13-29-14-18/h1,5,9-10,16-18H,2-4,6-8,12-14H2,(H,23,24,25)
InChIKeyKVTRUPCBRDHKMC-UHFFFAOYSA-N
XLogP2.43
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile (CID 122193947) is 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCOC3)n2)c1.
What is the InChIKey of 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile?
The InChIKey is KVTRUPCBRDHKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c22-11-15-1-5-23-20(9-15)24-21-10-19(27(25-21)17-4-8-28-12-17)16-2-6-26(7-3-16)18-13-29-14-18/h1,5,9-10,16-18H,2-4,6-8,12-14H2,(H,23,24,25).
What are the key properties of 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile?
2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile has a molecular weight of 394.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 122193947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).