[(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate

C25H25FN8O2 — CID 11755233

IUPAC[(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
SMILESCc1c(NC(=O)OC[C@H](C)N)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12
InChIInChI=1S/C25H25FN8O2/c1-15(27)13-36-25(35)32-21-12-34-23(16(21)2)24(28-14-30-34)31-20-6-7-22-18(9-20)10-29-33(22)11-17-4-3-5-19(26)8-17/h3-10,12,14-15H,11,13,27H2,1-2H3,(H,32,35)(H,28,30,31)/t15-/m0/s1
InChIKeyFWEYERJZFYTCMG-HNNXBMFYSA-N
MW488.53 g/mol
LogP4.21
Rot. Bonds7

About [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate

[(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate (PubChem CID 11755233) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate.

Molecular Properties

Compound Name[(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
PubChem CID11755233
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name[(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
SMILESCc1c(NC(=O)OC[C@H](C)N)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12
InChIInChI=1S/C25H25FN8O2/c1-15(27)13-36-25(35)32-21-12-34-23(16(21)2)24(28-14-30-34)31-20-6-7-22-18(9-20)10-29-33(22)11-17-4-3-5-19(26)8-17/h3-10,12,14-15H,11,13,27H2,1-2H3,(H,32,35)(H,28,30,31)/t15-/m0/s1
InChIKeyFWEYERJZFYTCMG-HNNXBMFYSA-N
XLogP4.21
TPSA124.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate with MolForge

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Related Compounds

morpholin-3-ylmethyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate;hydrochloride
CID 56603696
[(2S,4S)-2-(hydroxymethyl)piperidin-4-yl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 10437387
tert-butyl 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxy]-7-oxa-4-azaspiro[2.5]octane-4-carboxylate
CID 143065805
ethyl (E)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methylpyrimidin-5-yl]prop-2-enoate
CID 141400528
ethyl 3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidin-5-yl]prop-2-enoate
CID 141400601
2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol
CID 22390536
(E)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methylpyrimidin-5-yl]prop-2-enoic acid
CID 141400540
2-[2-(dimethylamino)ethoxy]ethyl N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 67137598
[(3S)-pyrrolidin-3-yl]methyl N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 10052053
(2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol
CID 10115560
tert-butyl N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 118145132
4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxypyrimidine-5-carbaldehyde
CID 141400530

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate?
The IUPAC name of [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate (CID 11755233) is [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate.
What is the SMILES notation for [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate?
The canonical SMILES for [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate is Cc1c(NC(=O)OC[C@H](C)N)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12.
What is the InChIKey of [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate?
The InChIKey is FWEYERJZFYTCMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-15(27)13-36-25(35)32-21-12-34-23(16(21)2)24(28-14-30-34)31-20-6-7-22-18(9-20)10-29-33(22)11-17-4-3-5-19(26)8-17/h3-10,12,14-15H,11,13,27H2,1-2H3,(H,32,35)(H,28,30,31)/t15-/m0/s1.
What are the key properties of [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate?
[(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate has a molecular weight of 488.53 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate is sourced from PubChem (CID 11755233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).