methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine

C91H98ClF3N28O25 — CID 167603273

About methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine

methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine (PubChem CID 167603273) has the molecular formula C91H98ClF3N28O25 and a molecular weight of 2076.40 g/mol. Its IUPAC name is methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine.

Molecular Properties

• Compound Name: methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine
• PubChem CID: 167603273
• Molecular Formula: C91H98ClF3N28O25
• Molecular Weight: 2076.40 g/mol
• Exact Mass: 2074.69
• IUPAC Name: methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine
• SMILES: C1COCCN1.COC(=O)Nc1cc(C(F)(F)F)c(C=O)cn1.COC(=O)Nc1cc(C)c(-c2nc(Cl)c3cc(C(=O)OC)cn3n2)cn1.COC(=O)Nc1cc(C)c(-c2nc(N3CCOCC3)c3cc(C(=O)OC)cn3n2)cn1.COC(=O)Nc1cc(C)c(-c2nc(N3CCOCC3)c3cc(CO)cn3n2)cn1.COC(=O)Nc1cc(C)c(-c2nn3cc(C(=O)OC)cc3c(=O)[nH]2)cn1.COC(=O)c1cc(C(N)=O)n(N)c1
• InChI: InChI=1S/C20H22N6O5.C19H22N6O4.C16H14ClN5O4.C16H15N5O5.C9H7F3N2O3.C7H9N3O3.C4H9NO/c1-12-8-16(22-20(28)30-3)21-10-14(12)17-23-18(25-4-6-31-7-5-25)15-9-13(19(27)29-2)11-26(15)24-17;1-12-7-16(21-19(27)28-2)20-9-14(12)17-22-18(24-3-5-29-6-4-24)15-8-13(11-26)10-25(15)23-17;1-8-4-12(19-16(24)26-3)18-6-10(8)14-20-13(17)11-5-9(15(23)25-2)7-22(11)21-14;1-8-4-12(18-16(24)26-3)17-6-10(8)13-19-14(22)11-5-9(15(23)25-2)7-21(11)20-13;1-17-8(16)14-7-2-6(9(10,11)12)5(4-15)3-13-7;1-13-7(12)4-2-5(6(8)11)10(9)3-4;1-3-6-4-2-5-1/h8-11H,4-7H2,1-3H3,(H,21,22,28);7-10,26H,3-6,11H2,1-2H3,(H,20,21,27);4-7H,1-3H3,(H,18,19,24);4-7H,1-3H3,(H,17,18,24)(H,19,20,22);2-4H,1H3,(H,13,14,16);2-3H,9H2,1H3,(H2,8,11);5H,1-4H2
• InChIKey: KAJKCTWASSDVNH-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 659.57 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.40
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine?

The IUPAC name of methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine (CID 167603273) is methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine.

What is the SMILES notation for methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine?

The canonical SMILES for methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine is C1COCCN1.COC(=O)Nc1cc(C(F)(F)F)c(C=O)cn1.COC(=O)Nc1cc(C)c(-c2nc(Cl)c3cc(C(=O)OC)cn3n2)cn1.COC(=O)Nc1cc(C)c(-c2nc(N3CCOCC3)c3cc(C(=O)OC)cn3n2)cn1.COC(=O)Nc1cc(C)c(-c2nc(N3CCOCC3)c3cc(CO)cn3n2)cn1.COC(=O)Nc1cc(C)c(-c2nn3cc(C(=O)OC)cc3c(=O)[nH]2)cn1.COC(=O)c1cc(C(N)=O)n(N)c1.

What is the InChIKey of methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine?

The InChIKey is KAJKCTWASSDVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5.C19H22N6O4.C16H14ClN5O4.C16H15N5O5.C9H7F3N2O3.C7H9N3O3.C4H9NO/c1-12-8-16(22-20(28)30-3)21-10-14(12)17-23-18(25-4-6-31-7-5-25)15-9-13(19(27)29-2)11-26(15)24-17;1-12-7-16(21-19(27)28-2)20-9-14(12)17-22-18(24-3-5-29-6-4-24)15-8-13(11-26)10-25(15)23-17;1-8-4-12(19-16(24)26-3)18-6-10(8)14-20-13(17)11-5-9(15(23)25-2)7-22(11)21-14;1-8-4-12(18-16(24)26-3)17-6-10(8)13-19-14(22)11-5-9(15(23)25-2)7-21(11)20-13;1-17-8(16)14-7-2-6(9(10,11)12)5(4-15)3-13-7;1-13-7(12)4-2-5(6(8)11)10(9)3-4;1-3-6-4-2-5-1/h8-11H,4-7H2,1-3H3,(H,21,22,28);7-10,26H,3-6,11H2,1-2H3,(H,20,21,27);4-7H,1-3H3,(H,18,19,24);4-7H,1-3H3,(H,17,18,24)(H,19,20,22);2-4H,1H3,(H,13,14,16);2-3H,9H2,1H3,(H2,8,11);5H,1-4H2.

What are the key properties of methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine?

methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine has a molecular weight of 2076.40 g/mol, XLogP of 8.37, 18 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-amino-5-carbamoylpyrrole-3-carboxylate;methyl 4-chloro-2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-(hydroxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-pyridinyl]carbamate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(methoxycarbonylamino)-4-methyl-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;morpholine is sourced from PubChem (CID 167603273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).