4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one

C44H53ClN16O4 — CID 167621080

About 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one

4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one (PubChem CID 167621080) has the molecular formula C44H53ClN16O4 and a molecular weight of 905.47 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one.

Molecular Properties

• Compound Name: 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
• PubChem CID: 167621080
• Molecular Formula: C44H53ClN16O4
• Molecular Weight: 905.47 g/mol
• Exact Mass: 904.41
• IUPAC Name: 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
• SMILES: CC(C)n1cnc2c1CN(c1ccnc(Cl)n1)CC2.CC(C)n1cnc2c1CN(c1ccnc(Nc3ccc(N4CCOCC4=O)cn3)n1)CC2.Nc1ccc(N2CCOCC2=O)cn1
• InChI: InChI=1S/C22H26N8O2.C13H16ClN5.C9H11N3O2/c1-15(2)30-14-25-17-6-8-28(12-18(17)30)20-5-7-23-22(27-20)26-19-4-3-16(11-24-19)29-9-10-32-13-21(29)31;1-9(2)19-8-16-10-4-6-18(7-11(10)19)12-3-5-15-13(14)17-12;10-8-2-1-7(5-11-8)12-3-4-14-6-9(12)13/h3-5,7,11,14-15H,6,8-10,12-13H2,1-2H3,(H,23,24,26,27);3,5,8-9H,4,6-7H2,1-2H3;1-2,5H,3-4,6H2,(H2,10,11)
• InChIKey: MLDDTJKHIFAYQV-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 216.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.47
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?

The IUPAC name of 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one (CID 167621080) is 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one.

What is the SMILES notation for 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?

The canonical SMILES for 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one is CC(C)n1cnc2c1CN(c1ccnc(Cl)n1)CC2.CC(C)n1cnc2c1CN(c1ccnc(Nc3ccc(N4CCOCC4=O)cn3)n1)CC2.Nc1ccc(N2CCOCC2=O)cn1.

What is the InChIKey of 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?

The InChIKey is MLDDTJKHIFAYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2.C13H16ClN5.C9H11N3O2/c1-15(2)30-14-25-17-6-8-28(12-18(17)30)20-5-7-23-22(27-20)26-19-4-3-16(11-24-19)29-9-10-32-13-21(29)31;1-9(2)19-8-16-10-4-6-18(7-11(10)19)12-3-5-15-13(14)17-12;10-8-2-1-7(5-11-8)12-3-4-14-6-9(12)13/h3-5,7,11,14-15H,6,8-10,12-13H2,1-2H3,(H,23,24,26,27);3,5,8-9H,4,6-7H2,1-2H3;1-2,5H,3-4,6H2,(H2,10,11).

What are the key properties of 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?

4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one has a molecular weight of 905.47 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one is sourced from PubChem (CID 167621080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).