1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea

C111H118N34O12 — CID 157330600

About 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea

1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea (PubChem CID 157330600) has the molecular formula C111H118N34O12 and a molecular weight of 2120.39 g/mol. Its IUPAC name is 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea.

Molecular Properties

• Compound Name: 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea
• PubChem CID: 157330600
• Molecular Formula: C111H118N34O12
• Molecular Weight: 2120.39 g/mol
• Exact Mass: 2118.97
• IUPAC Name: 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea
• SMILES: C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3cccnc3)cc2)nn2cccc12.Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2)cn1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)NC1CCOCC1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)NN1CCOCC1.O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1
• InChI: InChI=1S/2C23H23N7O2.C22H21N7O2.C22H26N6O3.C21H25N7O3/c1-16-15-32-13-12-29(16)22-20-5-3-11-30(20)28-21(27-22)17-6-8-18(9-7-17)25-23(31)26-19-4-2-10-24-14-19;1-16-4-7-19(15-24-16)26-23(31)25-18-8-5-17(6-9-18)21-27-22(29-11-13-32-14-12-29)20-3-2-10-30(20)28-21;30-22(25-18-7-9-23-10-8-18)24-17-5-3-16(4-6-17)20-26-21(28-12-14-31-15-13-28)19-2-1-11-29(19)27-20;29-22(24-18-7-12-30-13-8-18)23-17-5-3-16(4-6-17)20-25-21(27-10-14-31-15-11-27)19-2-1-9-28(19)26-20;29-21(25-27-10-14-31-15-11-27)22-17-5-3-16(4-6-17)19-23-20(26-8-12-30-13-9-26)18-2-1-7-28(18)24-19/h2-11,14,16H,12-13,15H2,1H3,(H2,25,26,31);2-10,15H,11-14H2,1H3,(H2,25,26,31);1-11H,12-15H2,(H2,23,24,25,30);1-6,9,18H,7-8,10-15H2,(H2,23,24,29);1-7H,8-15H2,(H2,22,25,29)/t16-;;;;/m1..../s1
• InChIKey: BFFWXBUAVMDZDG-XIYRCBLHSA-N
• XLogP: 14.65
• TPSA: 479.32 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2120.39
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea?

The IUPAC name of 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea (CID 157330600) is 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea.

What is the SMILES notation for 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea?

The canonical SMILES for 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea is C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3cccnc3)cc2)nn2cccc12.Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2)cn1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)NC1CCOCC1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)NN1CCOCC1.O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.

What is the InChIKey of 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea?

The InChIKey is BFFWXBUAVMDZDG-XIYRCBLHSA-N. The full InChI is InChI=1S/2C23H23N7O2.C22H21N7O2.C22H26N6O3.C21H25N7O3/c1-16-15-32-13-12-29(16)22-20-5-3-11-30(20)28-21(27-22)17-6-8-18(9-7-17)25-23(31)26-19-4-2-10-24-14-19;1-16-4-7-19(15-24-16)26-23(31)25-18-8-5-17(6-9-18)21-27-22(29-11-13-32-14-12-29)20-3-2-10-30(20)28-21;30-22(25-18-7-9-23-10-8-18)24-17-5-3-16(4-6-17)20-26-21(28-12-14-31-15-13-28)19-2-1-11-29(19)27-20;29-22(24-18-7-12-30-13-8-18)23-17-5-3-16(4-6-17)20-25-21(27-10-14-31-15-11-27)19-2-1-9-28(19)26-20;29-21(25-27-10-14-31-15-11-27)22-17-5-3-16(4-6-17)19-23-20(26-8-12-30-13-9-26)18-2-1-7-28(18)24-19/h2-11,14,16H,12-13,15H2,1H3,(H2,25,26,31);2-10,15H,11-14H2,1H3,(H2,25,26,31);1-11H,12-15H2,(H2,23,24,25,30);1-6,9,18H,7-8,10-15H2,(H2,23,24,29);1-7H,8-15H2,(H2,22,25,29)/t16-;;;;/m1..../s1.

What are the key properties of 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea?

1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea has a molecular weight of 2120.39 g/mol, XLogP of 14.65, 20 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-(6-methyl-3-pyridinyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-morpholin-4-yl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(oxan-4-yl)urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 157330600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).