3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine

C18H21N9O — CID 174205521

IUPAC3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine
SMILESCc1nc(-c2ccn[nH]2)n2nc(N3CCOCC3C)nc(-c3ccnn3C)c12
InChIInChI=1S/C18H21N9O/c1-11-10-28-9-8-26(11)18-22-15(14-5-7-20-25(14)3)16-12(2)21-17(27(16)24-18)13-4-6-19-23-13/h4-7,11H,8-10H2,1-3H3,(H,19,23)
InChIKeyRZCURPDLSACEGY-UHFFFAOYSA-N
MW379.43 g/mol
LogP1.45
Rot. Bonds3

About 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine

3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine (PubChem CID 174205521) has the molecular formula C18H21N9O and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine
PubChem CID174205521
Molecular FormulaC18H21N9O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine
SMILESCc1nc(-c2ccn[nH]2)n2nc(N3CCOCC3C)nc(-c3ccnn3C)c12
InChIInChI=1S/C18H21N9O/c1-11-10-28-9-8-26(11)18-22-15(14-5-7-20-25(14)3)16-12(2)21-17(27(16)24-18)13-4-6-19-23-13/h4-7,11H,8-10H2,1-3H3,(H,19,23)
InChIKeyRZCURPDLSACEGY-UHFFFAOYSA-N
XLogP1.45
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 169096561
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
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(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825
(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 151175498
3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]morpholine
CID 155454334
(3R)-3-methyl-4-[1-methyl-7-(oxolan-3-yl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 156699437
5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine
CID 178015745
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 155454721
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
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CID 155439964
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CID 156699447

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine?
The IUPAC name of 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine (CID 174205521) is 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine.
What is the SMILES notation for 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine?
The canonical SMILES for 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine is Cc1nc(-c2ccn[nH]2)n2nc(N3CCOCC3C)nc(-c3ccnn3C)c12.
What is the InChIKey of 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine?
The InChIKey is RZCURPDLSACEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O/c1-11-10-28-9-8-26(11)18-22-15(14-5-7-20-25(14)3)16-12(2)21-17(27(16)24-18)13-4-6-19-23-13/h4-7,11H,8-10H2,1-3H3,(H,19,23).
What are the key properties of 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine?
3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine has a molecular weight of 379.43 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine is sourced from PubChem (CID 174205521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).