5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

C19H21N9O — CID 162670790

IUPAC5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCn1cc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)cn1
InChIInChI=1S/C19H21N9O/c1-28-12-13(6-26-28)16-10-25-18(27-19-11-22-14(5-20)7-24-19)4-17(16)23-9-15-8-21-2-3-29-15/h4,6-7,10-12,15,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t15-/m1/s1
InChIKeyHGYKCQUYMKJVQI-OAHLLOKOSA-N
MW391.44 g/mol
LogP1.29
Rot. Bonds6

About 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 162670790) has the molecular formula C19H21N9O and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID162670790
Molecular FormulaC19H21N9O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCn1cc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)cn1
InChIInChI=1S/C19H21N9O/c1-28-12-13(6-26-28)16-10-25-18(27-19-11-22-14(5-20)7-24-19)4-17(16)23-9-15-8-21-2-3-29-15/h4,6-7,10-12,15,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t15-/m1/s1
InChIKeyHGYKCQUYMKJVQI-OAHLLOKOSA-N
XLogP1.29
TPSA125.60 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 162670790) is 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is Cn1cc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)cn1.
What is the InChIKey of 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is HGYKCQUYMKJVQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N9O/c1-28-12-13(6-26-28)16-10-25-18(27-19-11-22-14(5-20)7-24-19)4-17(16)23-9-15-8-21-2-3-29-15/h4,6-7,10-12,15,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t15-/m1/s1.
What are the key properties of 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 391.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 162670790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).