cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C18H19FN8O — CID 171653678

IUPACcyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1ncc(O)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F.NC1CCC1
InChIInChI=1S/C14H10FN7O.C4H9N/c1-7-14(15)13(10(23)5-17-7)9-2-11(22-21-9)20-12-6-18-8(3-16)4-19-12;5-4-2-1-3-4/h2,4-6,23H,1H3,(H2,19,20,21,22);4H,1-3,5H2
InChIKeySYLBIHZPYLAUQT-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.53
Rot. Bonds3

About cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171653678) has the molecular formula C18H19FN8O and a molecular weight of 382.40 g/mol. Its IUPAC name is cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Namecyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID171653678
Molecular FormulaC18H19FN8O
Molecular Weight382.40 g/mol
Exact Mass382.17
IUPAC Namecyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1ncc(O)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F.NC1CCC1
InChIInChI=1S/C14H10FN7O.C4H9N/c1-7-14(15)13(10(23)5-17-7)9-2-11(22-21-9)20-12-6-18-8(3-16)4-19-12;5-4-2-1-3-4/h2,4-6,23H,1H3,(H2,19,20,21,22);4H,1-3,5H2
InChIKeySYLBIHZPYLAUQT-UHFFFAOYSA-N
XLogP2.53
TPSA149.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653717
5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 174279678
5-[[5-[5-[(1R,2R)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 174279683
5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147771
5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147935
5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147807
5-[[5-[6-(3-aminocyclobutyl)oxy-3-fluoro-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 167335230
5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 167335278
5-[[5-[2-(3-aminocyclobutyl)oxy-6-methoxy-4-methylphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 170070430
hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
CID 173055366
5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 175112986
5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653675

Frequently Asked Questions

What is the IUPAC name of cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 171653678) is cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is Cc1ncc(O)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F.NC1CCC1.
What is the InChIKey of cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is SYLBIHZPYLAUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN7O.C4H9N/c1-7-14(15)13(10(23)5-17-7)9-2-11(22-21-9)20-12-6-18-8(3-16)4-19-12;5-4-2-1-3-4/h2,4-6,23H,1H3,(H2,19,20,21,22);4H,1-3,5H2.
What are the key properties of cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 382.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171653678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).