5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

C19H20N8OS — CID 162645943

IUPAC5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCc1cnc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)s1
InChIInChI=1S/C19H20N8OS/c1-12-6-26-19(29-12)15-10-25-17(27-18-11-22-13(5-20)7-24-18)4-16(15)23-9-14-8-21-2-3-28-14/h4,6-7,10-11,14,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t14-/m1/s1
InChIKeyPPKKCBFCZHSYIP-CQSZACIVSA-N
MW408.49 g/mol
LogP2.32
Rot. Bonds6

About 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 162645943) has the molecular formula C19H20N8OS and a molecular weight of 408.49 g/mol. Its IUPAC name is 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID162645943
Molecular FormulaC19H20N8OS
Molecular Weight408.49 g/mol
Exact Mass408.15
IUPAC Name5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCc1cnc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)s1
InChIInChI=1S/C19H20N8OS/c1-12-6-26-19(29-12)15-10-25-17(27-18-11-22-13(5-20)7-24-18)4-16(15)23-9-14-8-21-2-3-28-14/h4,6-7,10-11,14,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t14-/m1/s1
InChIKeyPPKKCBFCZHSYIP-CQSZACIVSA-N
XLogP2.32
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 162645943) is 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is Cc1cnc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)s1.
What is the InChIKey of 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is PPKKCBFCZHSYIP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N8OS/c1-12-6-26-19(29-12)15-10-25-17(27-18-11-22-13(5-20)7-24-18)4-16(15)23-9-14-8-21-2-3-28-14/h4,6-7,10-11,14,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t14-/m1/s1.
What are the key properties of 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 408.49 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 162645943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).