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

C20H23N7O2 — CID 126571913

IUPACN-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2cnn3c(N4CCOCC4)cnc3n2)c1)N1CCCC1
InChIInChI=1S/C20H23N7O2/c28-20(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/h3-5,12-14H,1-2,6-11H2,(H,23,28)
InChIKeyLSOVDTMMWAHYDN-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.26
Rot. Bonds3

About N-[3-(7-morpholin-4-ylimidazo[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 (PubChem CID 126571913) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 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.

Molecular Properties

Compound NameN-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID126571913
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2cnn3c(N4CCOCC4)cnc3n2)c1)N1CCCC1
InChIInChI=1S/C20H23N7O2/c28-20(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/h3-5,12-14H,1-2,6-11H2,(H,23,28)
InChIKeyLSOVDTMMWAHYDN-UHFFFAOYSA-N
XLogP2.26
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
CID 154751124
N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide
CID 71104862
4-acetyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 72874124
N-(3-tert-butylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143361
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 162764866
5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide
CID 166399749
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652

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?
The IUPAC name of N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide (CID 126571913) is N-[3-(7-morpholin-4-ylimidazo[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?
The canonical SMILES for N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide is 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?
The InChIKey is LSOVDTMMWAHYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c28-20(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/h3-5,12-14H,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-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 126571913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).