6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane

C100H100N18O11 — CID 157141515

About 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane

6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane (PubChem CID 157141515) has the molecular formula C100H100N18O11 and a molecular weight of 1730.01 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane
• PubChem CID: 157141515
• Molecular Formula: C100H100N18O11
• Molecular Weight: 1730.01 g/mol
• Exact Mass: 1728.78
• IUPAC Name: 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane
• SMILES: C.CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c4nccn4c3)c1CO)C2=O.CNC(=O)Nc1cc(-c2cccc(N3CCc4cc(C5CC5)ccc4C3=O)c2CO)cn2ccnc12.O=C(c1ccc(Nc2cc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)cn3ccnc23)nc1)N1CCOCC1
• InChI: InChI=1S/C36H34N6O4.C35H35N7O4.C28H27N5O3.CH4/c43-22-30-28(2-1-3-32(30)42-12-10-25-18-24(23-4-5-23)6-8-29(25)36(42)45)27-19-31(34-37-11-13-41(34)21-27)39-33-9-7-26(20-38-33)35(44)40-14-16-46-17-15-40;1-39(2)26-7-8-28-23(18-26)10-12-42(35(28)45)31-5-3-4-27(29(31)22-43)25-19-30(33-36-11-13-41(33)21-25)38-32-9-6-24(20-37-32)34(44)40-14-16-46-17-15-40;1-29-28(36)31-24-14-20(15-32-12-10-30-26(24)32)21-3-2-4-25(23(21)16-34)33-11-9-19-13-18(17-5-6-17)7-8-22(19)27(33)35;/h1-3,6-9,11,13,18-21,23,43H,4-5,10,12,14-17,22H2,(H,38,39);3-9,11,13,18-21,43H,10,12,14-17,22H2,1-2H3,(H,37,38);2-4,7-8,10,12-15,17,34H,5-6,9,11,16H2,1H3,(H2,29,31,36);1H4
• InChIKey: AKFYKKIXRZJTIE-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 326.81 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1730.01
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane?

The IUPAC name of 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane (CID 157141515) is 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane.

What is the SMILES notation for 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane?

The canonical SMILES for 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane is C.CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c4nccn4c3)c1CO)C2=O.CNC(=O)Nc1cc(-c2cccc(N3CCc4cc(C5CC5)ccc4C3=O)c2CO)cn2ccnc12.O=C(c1ccc(Nc2cc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)cn3ccnc23)nc1)N1CCOCC1.

What is the InChIKey of 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane?

The InChIKey is AKFYKKIXRZJTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N6O4.C35H35N7O4.C28H27N5O3.CH4/c43-22-30-28(2-1-3-32(30)42-12-10-25-18-24(23-4-5-23)6-8-29(25)36(42)45)27-19-31(34-37-11-13-41(34)21-27)39-33-9-7-26(20-38-33)35(44)40-14-16-46-17-15-40;1-39(2)26-7-8-28-23(18-26)10-12-42(35(28)45)31-5-3-4-27(29(31)22-43)25-19-30(33-36-11-13-41(33)21-25)38-32-9-6-24(20-37-32)34(44)40-14-16-46-17-15-40;1-29-28(36)31-24-14-20(15-32-12-10-30-26(24)32)21-3-2-4-25(23(21)16-34)33-11-9-19-13-18(17-5-6-17)7-8-22(19)27(33)35;/h1-3,6-9,11,13,18-21,23,43H,4-5,10,12,14-17,22H2,(H,38,39);3-9,11,13,18-21,43H,10,12,14-17,22H2,1-2H3,(H,37,38);2-4,7-8,10,12-15,17,34H,5-6,9,11,16H2,1H3,(H2,29,31,36);1H4.

What are the key properties of 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane?

6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane has a molecular weight of 1730.01 g/mol, XLogP of 14.52, 19 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;1-[6-[3-(6-cyclopropyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-3-methylurea;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;methane is sourced from PubChem (CID 157141515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).