morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone

C16H16N6O2 — CID 118711849

IUPACmorpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone
SMILESO=C(c1cc2c(Nc3ccncc3)ncnn2c1)N1CCOCC1
InChIInChI=1S/C16H16N6O2/c23-16(21-5-7-24-8-6-21)12-9-14-15(18-11-19-22(14)10-12)20-13-1-3-17-4-2-13/h1-4,9-11H,5-8H2,(H,17,18,19,20)
InChIKeyANOBSPXHFLGJIK-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.34
Rot. Bonds3

About morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone

morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone (PubChem CID 118711849) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone
PubChem CID118711849
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Namemorpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone
SMILESO=C(c1cc2c(Nc3ccncc3)ncnn2c1)N1CCOCC1
InChIInChI=1S/C16H16N6O2/c23-16(21-5-7-24-8-6-21)12-9-14-15(18-11-19-22(14)10-12)20-13-1-3-17-4-2-13/h1-4,9-11H,5-8H2,(H,17,18,19,20)
InChIKeyANOBSPXHFLGJIK-UHFFFAOYSA-N
XLogP1.34
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pf-00489791
CID 11465695
5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 24764438
1-(4-{4-Morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
CID 44182308
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58368041
GSK-3|A inhibitor 13
CID 134551592
(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328633
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377956
4-N,2-dimethyl-3-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
CID 57378176

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone (CID 118711849) is morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone is O=C(c1cc2c(Nc3ccncc3)ncnn2c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone?
The InChIKey is ANOBSPXHFLGJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-16(21-5-7-24-8-6-21)12-9-14-15(18-11-19-22(14)10-12)20-13-1-3-17-4-2-13/h1-4,9-11H,5-8H2,(H,17,18,19,20).
What are the key properties of morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone?
morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone has a molecular weight of 324.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone is sourced from PubChem (CID 118711849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).