1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide

C92H109N25O13S — CID 157425898

IUPAC1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1nccs1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncn[nH]1.O=[N+]([O-])c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.OC1CCN(c2ccnc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)n2)C1
InChIInChI=1S/C26H33N7O3.C23H26N6O4.C22H25N5O3S.C21H25N7O3/c34-20-6-10-33(17-20)24-5-7-29-26(31-24)30-18-1-3-21(4-2-18)36-23-16-19(32-11-13-35-14-12-32)15-22-25(23)28-9-8-27-22;30-29(31)17-3-6-22(26-15-17)27-16-1-4-19(5-2-16)33-21-14-18(28-9-11-32-12-10-28)13-20-23(21)25-8-7-24-20;28-21(22-25-7-12-31-22)26-15-1-3-17(4-2-15)30-19-14-16(27-8-10-29-11-9-27)13-18-20(19)24-6-5-23-18;29-21(20-24-13-25-27-20)26-14-1-3-16(4-2-14)31-18-12-15(28-7-9-30-10-8-28)11-17-19(18)23-6-5-22-17/h5,7-9,15-16,18,20-21,34H,1-4,6,10-14,17H2,(H,29,30,31);3,6-8,13-16,19H,1-2,4-5,9-12H2,(H,26,27);5-7,12-15,17H,1-4,8-11H2,(H,26,28);5-6,11-14,16H,1-4,7-10H2,(H,26,29)(H,24,25,27)
InChIKeyBPYLSDWXULUQPK-UHFFFAOYSA-N
MW1805.11 g/mol
LogP10.95
Rot. Bonds22

About 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide

1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 157425898) has the molecular formula C92H109N25O13S and a molecular weight of 1805.11 g/mol. Its IUPAC name is 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID157425898
Molecular FormulaC92H109N25O13S
Molecular Weight1805.11 g/mol
Exact Mass1803.84
IUPAC Name1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1nccs1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncn[nH]1.O=[N+]([O-])c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.OC1CCN(c2ccnc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)n2)C1
InChIInChI=1S/C26H33N7O3.C23H26N6O4.C22H25N5O3S.C21H25N7O3/c34-20-6-10-33(17-20)24-5-7-29-26(31-24)30-18-1-3-21(4-2-18)36-23-16-19(32-11-13-35-14-12-32)15-22-25(23)28-9-8-27-22;30-29(31)17-3-6-22(26-15-17)27-16-1-4-19(5-2-16)33-21-14-18(28-9-11-32-12-10-28)13-20-23(21)25-8-7-24-20;28-21(22-25-7-12-31-22)26-15-1-3-17(4-2-15)30-19-14-16(27-8-10-29-11-9-27)13-18-20(19)24-6-5-23-18;29-21(20-24-13-25-27-20)26-14-1-3-16(4-2-14)31-18-12-15(28-7-9-30-10-8-28)11-17-19(18)23-6-5-22-17/h5,7-9,15-16,18,20-21,34H,1-4,6,10-14,17H2,(H,29,30,31);3,6-8,13-16,19H,1-2,4-5,9-12H2,(H,26,27);5-7,12-15,17H,1-4,8-11H2,(H,26,28);5-6,11-14,16H,1-4,7-10H2,(H,26,29)(H,24,25,27)
InChIKeyBPYLSDWXULUQPK-UHFFFAOYSA-N
XLogP10.95
TPSA431.92 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001805.11
LogP ≤ 510.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide (CID 157425898) is 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide is O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1nccs1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncn[nH]1.O=[N+]([O-])c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.OC1CCN(c2ccnc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)n2)C1.
What is the InChIKey of 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BPYLSDWXULUQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3.C23H26N6O4.C22H25N5O3S.C21H25N7O3/c34-20-6-10-33(17-20)24-5-7-29-26(31-24)30-18-1-3-21(4-2-18)36-23-16-19(32-11-13-35-14-12-32)15-22-25(23)28-9-8-27-22;30-29(31)17-3-6-22(26-15-17)27-16-1-4-19(5-2-16)33-21-14-18(28-9-11-32-12-10-28)13-20-23(21)25-8-7-24-20;28-21(22-25-7-12-31-22)26-15-1-3-17(4-2-15)30-19-14-16(27-8-10-29-11-9-27)13-18-20(19)24-6-5-23-18;29-21(20-24-13-25-27-20)26-14-1-3-16(4-2-14)31-18-12-15(28-7-9-30-10-8-28)11-17-19(18)23-6-5-22-17/h5,7-9,15-16,18,20-21,34H,1-4,6,10-14,17H2,(H,29,30,31);3,6-8,13-16,19H,1-2,4-5,9-12H2,(H,26,27);5-7,12-15,17H,1-4,8-11H2,(H,26,28);5-6,11-14,16H,1-4,7-10H2,(H,26,29)(H,24,25,27).
What are the key properties of 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 1805.11 g/mol, XLogP of 10.95, 22 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-nitropyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 157425898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).