5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C19H19FN8O — CID 171653717

IUPAC5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1ncc(O[C@H]2CCC[C@H]2N)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F
InChIInChI=1S/C19H19FN8O/c1-10-19(20)18(15(8-23-10)29-14-4-2-3-12(14)22)13-5-16(28-27-13)26-17-9-24-11(6-21)7-25-17/h5,7-9,12,14H,2-4,22H2,1H3,(H2,25,26,27,28)/t12-,14+/m1/s1
InChIKeySLACZVAJVXDDFF-OCCSQVGLSA-N
MW394.41 g/mol
LogP2.58
Rot. Bonds5

About 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171653717) has the molecular formula C19H19FN8O and a molecular weight of 394.41 g/mol. Its IUPAC name is 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID171653717
Molecular FormulaC19H19FN8O
Molecular Weight394.41 g/mol
Exact Mass394.17
IUPAC Name5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1ncc(O[C@H]2CCC[C@H]2N)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F
InChIInChI=1S/C19H19FN8O/c1-10-19(20)18(15(8-23-10)29-14-4-2-3-12(14)22)13-5-16(28-27-13)26-17-9-24-11(6-21)7-25-17/h5,7-9,12,14H,2-4,22H2,1H3,(H2,25,26,27,28)/t12-,14+/m1/s1
InChIKeySLACZVAJVXDDFF-OCCSQVGLSA-N
XLogP2.58
TPSA138.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 171653717) is 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is Cc1ncc(O[C@H]2CCC[C@H]2N)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F.
What is the InChIKey of 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is SLACZVAJVXDDFF-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H19FN8O/c1-10-19(20)18(15(8-23-10)29-14-4-2-3-12(14)22)13-5-16(28-27-13)26-17-9-24-11(6-21)7-25-17/h5,7-9,12,14H,2-4,22H2,1H3,(H2,25,26,27,28)/t12-,14+/m1/s1.
What are the key properties of 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 394.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[5-[(1S,2R)-2-aminocyclopentyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171653717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).