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

C22H28N6O — CID 122193949

IUPAC2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(CC3CCC3)n2)c1
InChIInChI=1S/C22H28N6O/c23-12-17-4-7-24-21(10-17)25-22-11-20(28(26-22)13-16-2-1-3-16)18-5-8-27(9-6-18)19-14-29-15-19/h4,7,10-11,16,18-19H,1-3,5-6,8-9,13-15H2,(H,24,25,26)
InChIKeyKOFKETXAQRCNNS-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.27
Rot. Bonds6

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

2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile (PubChem CID 122193949) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
PubChem CID122193949
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(CC3CCC3)n2)c1
InChIInChI=1S/C22H28N6O/c23-12-17-4-7-24-21(10-17)25-22-11-20(28(26-22)13-16-2-1-3-16)18-5-8-27(9-6-18)19-14-29-15-19/h4,7,10-11,16,18-19H,1-3,5-6,8-9,13-15H2,(H,24,25,26)
InChIKeyKOFKETXAQRCNNS-UHFFFAOYSA-N
XLogP3.27
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile (CID 122193949) is 2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(CC3CCC3)n2)c1.
What is the InChIKey of 2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile?
The InChIKey is KOFKETXAQRCNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c23-12-17-4-7-24-21(10-17)25-22-11-20(28(26-22)13-16-2-1-3-16)18-5-8-27(9-6-18)19-14-29-15-19/h4,7,10-11,16,18-19H,1-3,5-6,8-9,13-15H2,(H,24,25,26).
What are the key properties of 2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile?
2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile has a molecular weight of 392.51 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 122193949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).