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

C20H22N8O2 — CID 71452203

IUPAC5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCOc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1
InChIInChI=1S/C20H22N8O2/c1-27-5-4-14(12-27)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-3)15(9-23-18)13-8-24-28(2)11-13/h6,8-11,14H,4-5,12H2,1-3H3,(H,23,25,26)/t14-/m1/s1
InChIKeyDNJDUXGUNICGRU-CQSZACIVSA-N
MW406.45 g/mol
LogP1.98
Rot. Bonds6

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

5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 71452203) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID71452203
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCOc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1
InChIInChI=1S/C20H22N8O2/c1-27-5-4-14(12-27)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-3)15(9-23-18)13-8-24-28(2)11-13/h6,8-11,14H,4-5,12H2,1-3H3,(H,23,25,26)/t14-/m1/s1
InChIKeyDNJDUXGUNICGRU-CQSZACIVSA-N
XLogP1.98
TPSA114.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
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)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 71452203) is 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile is COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1.
What is the InChIKey of 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is DNJDUXGUNICGRU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-27-5-4-14(12-27)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-3)15(9-23-18)13-8-24-28(2)11-13/h6,8-11,14H,4-5,12H2,1-3H3,(H,23,25,26)/t14-/m1/s1.
What are the key properties of 5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 406.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 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)-1-methylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 71452203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).