1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione

C24H24ClFN6O3 — CID 170961154

IUPAC1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione
SMILESCc1cc(Cl)cc(-c2ncnn3cc(Cn4cc(F)c(=O)n(C)c4=O)cc23)c1C[C@@H]1CNCCO1
InChIInChI=1S/C24H24ClFN6O3/c1-14-5-16(25)7-19(18(14)8-17-9-27-3-4-35-17)22-21-6-15(11-32(21)29-13-28-22)10-31-12-20(26)23(33)30(2)24(31)34/h5-7,11-13,17,27H,3-4,8-10H2,1-2H3/t17-/m1/s1
InChIKeyUYBQUAYFWGGOHQ-QGZVFWFLSA-N
MW498.95 g/mol
LogP1.94
Rot. Bonds5

About 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione

1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione (PubChem CID 170961154) has the molecular formula C24H24ClFN6O3 and a molecular weight of 498.95 g/mol. Its IUPAC name is 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione
PubChem CID170961154
Molecular FormulaC24H24ClFN6O3
Molecular Weight498.95 g/mol
Exact Mass498.16
IUPAC Name1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione
SMILESCc1cc(Cl)cc(-c2ncnn3cc(Cn4cc(F)c(=O)n(C)c4=O)cc23)c1C[C@@H]1CNCCO1
InChIInChI=1S/C24H24ClFN6O3/c1-14-5-16(25)7-19(18(14)8-17-9-27-3-4-35-17)22-21-6-15(11-32(21)29-13-28-22)10-31-12-20(26)23(33)30(2)24(31)34/h5-7,11-13,17,27H,3-4,8-10H2,1-2H3/t17-/m1/s1
InChIKeyUYBQUAYFWGGOHQ-QGZVFWFLSA-N
XLogP1.94
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

3-[[4-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-1-ethylpyrimidine-2,4-dione
CID 174207971
1-[[4-[5-chloro-3-methyl-2-[[(6S)-6-methylmorpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-4-methylpiperazine-2,6-dione;hydrochloride
CID 170961610
3-[[4-[5-chloro-3-methyl-2-[[(5S)-5-methylmorpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-1-methylpyrimidine-2,4-dione;hydrochloride
CID 170961458
3-[[4-[5-chloro-3-methyl-2-[[(6S)-6-methylmorpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-1-propan-2-ylpyrimidine-2,4-dione
CID 170961488
3-[[4-[5-chloro-2-[[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]methyl]-3-methylphenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 170961390
[4-[5-chloro-3-methyl-2-[(6-methylmorpholin-2-yl)methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl-iodo-methoxysulfanyloxyborane
CID 170961399
3-[[4-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-one
CID 146478875
3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
CID 146445361
2-[[4-[5-chloro-1-(morpholin-2-ylmethyl)indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,7-dihydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 174208335
[3-[[4-[5-chloro-1-[[(2S)-morpholin-2-yl]methyl]indazol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate
CID 174211843
3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione
CID 146445262
3-[[7-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 146445219

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione (CID 170961154) is 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione is Cc1cc(Cl)cc(-c2ncnn3cc(Cn4cc(F)c(=O)n(C)c4=O)cc23)c1C[C@@H]1CNCCO1.
What is the InChIKey of 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione?
The InChIKey is UYBQUAYFWGGOHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24ClFN6O3/c1-14-5-16(25)7-19(18(14)8-17-9-27-3-4-35-17)22-21-6-15(11-32(21)29-13-28-22)10-31-12-20(26)23(33)30(2)24(31)34/h5-7,11-13,17,27H,3-4,8-10H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione?
1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione has a molecular weight of 498.95 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-5-fluoro-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 170961154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).