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

C20H26N6O — CID 122368046

IUPAC2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile
SMILESCC(C)n1nc(Nc2cc(C#N)ccn2)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H26N6O/c1-14(2)26-18(16-4-7-25(8-5-16)17-12-27-13-17)10-20(24-26)23-19-9-15(11-21)3-6-22-19/h3,6,9-10,14,16-17H,4-5,7-8,12-13H2,1-2H3,(H,22,23,24)
InChIKeySXERRUUBHBDKHH-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.05
Rot. Bonds5

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

2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile (PubChem CID 122368046) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile
PubChem CID122368046
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile
SMILESCC(C)n1nc(Nc2cc(C#N)ccn2)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H26N6O/c1-14(2)26-18(16-4-7-25(8-5-16)17-12-27-13-17)10-20(24-26)23-19-9-15(11-21)3-6-22-19/h3,6,9-10,14,16-17H,4-5,7-8,12-13H2,1-2H3,(H,22,23,24)
InChIKeySXERRUUBHBDKHH-UHFFFAOYSA-N
XLogP3.05
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile with MolForge

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Related Compounds

2-[(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile
CID 122193943
2-[[6-cyclobutyloxy-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 118725473
2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 90067590
2-[[4-(1-methylsulfanylpiperidin-4-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 134293686
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 90067480
4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90067501
2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile
CID 129021795
3-chloro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 90286662
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile
CID 65472964
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440
2-[4-ethyl-3-[1-(oxetan-3-yl)piperidin-4-yl]-N-propan-2-ylanilino]-3-methyl-1H-indole-6-carbonitrile
CID 126652192
2-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 71295188

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile (CID 122368046) is 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile is CC(C)n1nc(Nc2cc(C#N)ccn2)cc1C1CCN(C2COC2)CC1.
What is the InChIKey of 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile?
The InChIKey is SXERRUUBHBDKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14(2)26-18(16-4-7-25(8-5-16)17-12-27-13-17)10-20(24-26)23-19-9-15(11-21)3-6-22-19/h3,6,9-10,14,16-17H,4-5,7-8,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile?
2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile has a molecular weight of 366.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 122368046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).