5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C19H20N8O2 — CID 71459414

IUPAC5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCOc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1-c1cnn(C)c1
InChIInChI=1S/C19H20N8O2/c1-27-11-12(7-24-27)14-9-23-17(5-16(14)28-2)25-18-10-22-15(6-20)19(26-18)29-13-3-4-21-8-13/h5,7,9-11,13,21H,3-4,8H2,1-2H3,(H,23,25,26)/t13-/m1/s1
InChIKeyUEMHXHXGMBIAGT-CYBMUJFWSA-N
MW392.42 g/mol
LogP1.64
Rot. Bonds6

About 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 71459414) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID71459414
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCOc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1-c1cnn(C)c1
InChIInChI=1S/C19H20N8O2/c1-27-11-12(7-24-27)14-9-23-17(5-16(14)28-2)25-18-10-22-15(6-20)19(26-18)29-13-3-4-21-8-13/h5,7,9-11,13,21H,3-4,8H2,1-2H3,(H,23,25,26)/t13-/m1/s1
InChIKeyUEMHXHXGMBIAGT-CYBMUJFWSA-N
XLogP1.64
TPSA122.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 71459414) is 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1-c1cnn(C)c1.
What is the InChIKey of 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is UEMHXHXGMBIAGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-27-11-12(7-24-27)14-9-23-17(5-16(14)28-2)25-18-10-22-15(6-20)19(26-18)29-13-3-4-21-8-13/h5,7,9-11,13,21H,3-4,8H2,1-2H3,(H,23,25,26)/t13-/m1/s1.
What are the key properties of 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 392.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 71459414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).