N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide

C42H43N13O3 — CID 126571911

IUPACN-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2cnn3c(-c4ccccc4)cnc3n2)c1)N1CCCC1.O=C(Nc1cccc(-c2cnn3c(N4CCOCC4)cnc3n2)c1)N1CCCC1
InChIInChI=1S/C22H20N6O.C20H23N7O2/c29-22(27-11-4-5-12-27)25-18-10-6-9-17(13-18)19-14-24-28-20(15-23-21(28)26-19)16-7-2-1-3-8-16;28-20(26-6-1-2-7-26)23-16-5-3-4-15(12-16)17-13-22-27-18(14-21-19(27)24-17)25-8-10-29-11-9-25/h1-3,6-10,13-15H,4-5,11-12H2,(H,25,29);3-5,12-14H,1-2,6-11H2,(H,23,28)
InChIKeyQTTBOIGRWYUGNQ-UHFFFAOYSA-N
MW777.89 g/mol
LogP6.34
Rot. Bonds6

About N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide

N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 126571911) has the molecular formula C42H43N13O3 and a molecular weight of 777.89 g/mol. Its IUPAC name is N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID126571911
Molecular FormulaC42H43N13O3
Molecular Weight777.89 g/mol
Exact Mass777.36
IUPAC NameN-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2cnn3c(-c4ccccc4)cnc3n2)c1)N1CCCC1.O=C(Nc1cccc(-c2cnn3c(N4CCOCC4)cnc3n2)c1)N1CCCC1
InChIInChI=1S/C22H20N6O.C20H23N7O2/c29-22(27-11-4-5-12-27)25-18-10-6-9-17(13-18)19-14-24-28-20(15-23-21(28)26-19)16-7-2-1-3-8-16;28-20(26-6-1-2-7-26)23-16-5-3-4-15(12-16)17-13-22-27-18(14-21-19(27)24-17)25-8-10-29-11-9-25/h1-3,6-10,13-15H,4-5,11-12H2,(H,25,29);3-5,12-14H,1-2,6-11H2,(H,23,28)
InChIKeyQTTBOIGRWYUGNQ-UHFFFAOYSA-N
XLogP6.34
TPSA163.31 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.89
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide (CID 126571911) is N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(-c2cnn3c(-c4ccccc4)cnc3n2)c1)N1CCCC1.O=C(Nc1cccc(-c2cnn3c(N4CCOCC4)cnc3n2)c1)N1CCCC1.
What is the InChIKey of N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is QTTBOIGRWYUGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O.C20H23N7O2/c29-22(27-11-4-5-12-27)25-18-10-6-9-17(13-18)19-14-24-28-20(15-23-21(28)26-19)16-7-2-1-3-8-16;28-20(26-6-1-2-7-26)23-16-5-3-4-15(12-16)17-13-22-27-18(14-21-19(27)24-17)25-8-10-29-11-9-25/h1-3,6-10,13-15H,4-5,11-12H2,(H,25,29);3-5,12-14H,1-2,6-11H2,(H,23,28).
What are the key properties of N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide?
N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 777.89 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide;N-[3-(7-phenylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126571911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).