5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

C18H24N8O2 — CID 167844789

IUPAC5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cncc(OCC[C@@H](C)N)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C18H24N8O2/c1-11(20)3-4-28-15-9-21-8-14(27-2)18(15)13-5-16(26-25-13)24-17-10-22-12(6-19)7-23-17/h7-11,13,16,25-26H,3-5,20H2,1-2H3,(H,23,24)/t11-,13?,16?/m1/s1
InChIKeyQGUDDPDTICRFKY-FFKNIBCLSA-N
MW384.44 g/mol
LogP0.85
Rot. Bonds8

About 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167844789) has the molecular formula C18H24N8O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID167844789
Molecular FormulaC18H24N8O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cncc(OCC[C@@H](C)N)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C18H24N8O2/c1-11(20)3-4-28-15-9-21-8-14(27-2)18(15)13-5-16(26-25-13)24-17-10-22-12(6-19)7-23-17/h7-11,13,16,25-26H,3-5,20H2,1-2H3,(H,23,24)/t11-,13?,16?/m1/s1
InChIKeyQGUDDPDTICRFKY-FFKNIBCLSA-N
XLogP0.85
TPSA143.03 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 167844789) is 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1cncc(OCC[C@@H](C)N)c1C1CC(Nc2cnc(C#N)cn2)NN1.
What is the InChIKey of 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is QGUDDPDTICRFKY-FFKNIBCLSA-N. The full InChI is InChI=1S/C18H24N8O2/c1-11(20)3-4-28-15-9-21-8-14(27-2)18(15)13-5-16(26-25-13)24-17-10-22-12(6-19)7-23-17/h7-11,13,16,25-26H,3-5,20H2,1-2H3,(H,23,24)/t11-,13?,16?/m1/s1.
What are the key properties of 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 384.44 g/mol, XLogP of 0.85, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[3-[(3R)-3-aminobutoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167844789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).