4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol

C61H74ClN19O2 — CID 162037348

IUPAC4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol
SMILESCc1ccc([C@H](C)N)cc1.Cc1ccc([C@H](C)NCC2CN(c3ncnn4cc(-c5cnn(C)c5)cc34)C2)cc1.Cn1cc(-c2cc3c(Cl)ncnn3c2)cn1.Cn1cc(-c2cc3c(N4CC(CO)C4)ncnn3c2)cn1.OCC1CCC1
InChIInChI=1S/C23H27N7.C14H16N6O.C10H8ClN5.C9H13N.C5H10O/c1-16-4-6-19(7-5-16)17(2)24-9-18-11-29(12-18)23-22-8-20(14-30(22)27-15-25-23)21-10-26-28(3)13-21;1-18-6-12(3-16-18)11-2-13-14(15-9-17-20(13)7-11)19-4-10(5-19)8-21;1-15-4-8(3-13-15)7-2-9-10(11)12-6-14-16(9)5-7;1-7-3-5-9(6-4-7)8(2)10;6-4-5-2-1-3-5/h4-8,10,13-15,17-18,24H,9,11-12H2,1-3H3;2-3,6-7,9-10,21H,4-5,8H2,1H3;2-6H,1H3;3-6,8H,10H2,1-2H3;5-6H,1-4H2/t17-;;;8-;/m0..0./s1
InChIKeyYWVADYPERVHLRZ-QISFEZFWSA-N
MW1140.85 g/mol
LogP8.36
Rot. Bonds12

About 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol

4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol (PubChem CID 162037348) has the molecular formula C61H74ClN19O2 and a molecular weight of 1140.85 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol
PubChem CID162037348
Molecular FormulaC61H74ClN19O2
Molecular Weight1140.85 g/mol
Exact Mass1139.60
IUPAC Name4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol
SMILESCc1ccc([C@H](C)N)cc1.Cc1ccc([C@H](C)NCC2CN(c3ncnn4cc(-c5cnn(C)c5)cc34)C2)cc1.Cn1cc(-c2cc3c(Cl)ncnn3c2)cn1.Cn1cc(-c2cc3c(N4CC(CO)C4)ncnn3c2)cn1.OCC1CCC1
InChIInChI=1S/C23H27N7.C14H16N6O.C10H8ClN5.C9H13N.C5H10O/c1-16-4-6-19(7-5-16)17(2)24-9-18-11-29(12-18)23-22-8-20(14-30(22)27-15-25-23)21-10-26-28(3)13-21;1-18-6-12(3-16-18)11-2-13-14(15-9-17-20(13)7-11)19-4-10(5-19)8-21;1-15-4-8(3-13-15)7-2-9-10(11)12-6-14-16(9)5-7;1-7-3-5-9(6-4-7)8(2)10;6-4-5-2-1-3-5/h4-8,10,13-15,17-18,24H,9,11-12H2,1-3H3;2-3,6-7,9-10,21H,4-5,8H2,1H3;2-6H,1H3;3-6,8H,10H2,1-2H3;5-6H,1-4H2/t17-;;;8-;/m0..0./s1
InChIKeyYWVADYPERVHLRZ-QISFEZFWSA-N
XLogP8.36
TPSA229.02 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001140.85
LogP ≤ 58.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol?
The IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol (CID 162037348) is 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol.
What is the SMILES notation for 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol?
The canonical SMILES for 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol is Cc1ccc([C@H](C)N)cc1.Cc1ccc([C@H](C)NCC2CN(c3ncnn4cc(-c5cnn(C)c5)cc34)C2)cc1.Cn1cc(-c2cc3c(Cl)ncnn3c2)cn1.Cn1cc(-c2cc3c(N4CC(CO)C4)ncnn3c2)cn1.OCC1CCC1.
What is the InChIKey of 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol?
The InChIKey is YWVADYPERVHLRZ-QISFEZFWSA-N. The full InChI is InChI=1S/C23H27N7.C14H16N6O.C10H8ClN5.C9H13N.C5H10O/c1-16-4-6-19(7-5-16)17(2)24-9-18-11-29(12-18)23-22-8-20(14-30(22)27-15-25-23)21-10-26-28(3)13-21;1-18-6-12(3-16-18)11-2-13-14(15-9-17-20(13)7-11)19-4-10(5-19)8-21;1-15-4-8(3-13-15)7-2-9-10(11)12-6-14-16(9)5-7;1-7-3-5-9(6-4-7)8(2)10;6-4-5-2-1-3-5/h4-8,10,13-15,17-18,24H,9,11-12H2,1-3H3;2-3,6-7,9-10,21H,4-5,8H2,1H3;2-6H,1H3;3-6,8H,10H2,1-2H3;5-6H,1-4H2/t17-;;;8-;/m0..0./s1.
What are the key properties of 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol?
4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol has a molecular weight of 1140.85 g/mol, XLogP of 8.36, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;cyclobutylmethanol;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-methylphenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]ethanamine;[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methanol is sourced from PubChem (CID 162037348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).