2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol

C16H20N4O — CID 167284551

IUPAC2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
SMILESC[C@@H]1NCCc2[nH]c(N)c(/C=C(\N)c3ccccc3O)c21
InChIInChI=1S/C16H20N4O/c1-9-15-11(16(18)20-13(15)6-7-19-9)8-12(17)10-4-2-3-5-14(10)21/h2-5,8-9,19-21H,6-7,17-18H2,1H3/b12-8-/t9-/m0/s1
InChIKeyAFAKTSPWRHZLTP-RILYUOAZSA-N
MW284.36 g/mol
LogP1.97
Rot. Bonds2

About 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol

2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol (PubChem CID 167284551) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
PubChem CID167284551
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
SMILESC[C@@H]1NCCc2[nH]c(N)c(/C=C(\N)c3ccccc3O)c21
InChIInChI=1S/C16H20N4O/c1-9-15-11(16(18)20-13(15)6-7-19-9)8-12(17)10-4-2-3-5-14(10)21/h2-5,8-9,19-21H,6-7,17-18H2,1H3/b12-8-/t9-/m0/s1
InChIKeyAFAKTSPWRHZLTP-RILYUOAZSA-N
XLogP1.97
TPSA100.09 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol with MolForge

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Related Compounds

2-[(Z)-1-amino-2-[2-amino-4-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 170613236
3-[(E)-2-amino-2-chloroethenyl]-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-amine
CID 156802690
2-[(Z)-1-amino-2-[(4R)-2-amino-4-methyl-5-(5-piperidin-4-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol;ethane
CID 170613684
2-[(Z)-1-amino-2-[2-amino-4-methyl-5-(5-piperazin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 166458307
2-[(Z)-1-amino-2-(2-amino-4-methyl-5-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol
CID 166459136
2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol
CID 166458257
2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 170613821
2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 166459652
2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol
CID 170612936
tert-butyl 6-[5-[2-[2-amino-3-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]pyrimidin-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166458375
2-[3-[[4-[4-[2-[2-amino-3-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]pyrimidin-5-yl]piperidin-1-yl]cyclohexyl]methoxy]-1,2-oxazol-5-yl]-3-methylbutanal;methanol
CID 166459112
2-[3-[4-[2-[4-[2-[2-amino-3-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]pyrimidin-5-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanal;ethane;methanol
CID 170613450

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?
The IUPAC name of 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol (CID 167284551) is 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol.
What is the SMILES notation for 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?
The canonical SMILES for 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol is C[C@@H]1NCCc2[nH]c(N)c(/C=C(\N)c3ccccc3O)c21.
What is the InChIKey of 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?
The InChIKey is AFAKTSPWRHZLTP-RILYUOAZSA-N. The full InChI is InChI=1S/C16H20N4O/c1-9-15-11(16(18)20-13(15)6-7-19-9)8-12(17)10-4-2-3-5-14(10)21/h2-5,8-9,19-21H,6-7,17-18H2,1H3/b12-8-/t9-/m0/s1.
What are the key properties of 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?
2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol has a molecular weight of 284.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol is sourced from PubChem (CID 167284551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).