5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C20H22N10O — CID 155595047

IUPAC5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(-c3ccn(C4CC4)n3)nn2)cn1
InChIInChI=1S/C20H22N10O/c21-8-13-9-25-19(12-23-13)26-18-7-17(24-11-15-10-22-4-6-31-15)20(28-27-18)16-3-5-30(29-16)14-1-2-14/h3,5,7,9,12,14-15,22H,1-2,4,6,10-11H2,(H2,24,25,26,27)/t15-/m1/s1
InChIKeySLODBCXSVVEEFF-OAHLLOKOSA-N
MW418.47 g/mol
LogP1.48
Rot. Bonds7

About 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155595047) has the molecular formula C20H22N10O and a molecular weight of 418.47 g/mol. Its IUPAC name is 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155595047
Molecular FormulaC20H22N10O
Molecular Weight418.47 g/mol
Exact Mass418.20
IUPAC Name5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(-c3ccn(C4CC4)n3)nn2)cn1
InChIInChI=1S/C20H22N10O/c21-8-13-9-25-19(12-23-13)26-18-7-17(24-11-15-10-22-4-6-31-15)20(28-27-18)16-3-5-30(29-16)14-1-2-14/h3,5,7,9,12,14-15,22H,1-2,4,6,10-11H2,(H2,24,25,26,27)/t15-/m1/s1
InChIKeySLODBCXSVVEEFF-OAHLLOKOSA-N
XLogP1.48
TPSA138.49 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile with MolForge

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Related Compounds

5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594915
5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594587
5-[[6-isocyano-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164942061
5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594643
5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595004
5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594612
5-[[6-(3-methoxy-3-methylbut-1-ynyl)-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594865
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2S)-morpholin-2-yl]methylamino]pyridine-3-carboxylate
CID 86338719
6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 164599379
6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide
CID 164599054
5-[[6-methyl-5-(morpholin-2-ylmethylsulfonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167564514

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155595047) is 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(-c3ccn(C4CC4)n3)nn2)cn1.
What is the InChIKey of 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is SLODBCXSVVEEFF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N10O/c21-8-13-9-25-19(12-23-13)26-18-7-17(24-11-15-10-22-4-6-31-15)20(28-27-18)16-3-5-30(29-16)14-1-2-14/h3,5,7,9,12,14-15,22H,1-2,4,6,10-11H2,(H2,24,25,26,27)/t15-/m1/s1.
What are the key properties of 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 418.47 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1-cyclopropylpyrazol-3-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155595047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).