2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol

C18H24N4O — CID 166458257

IUPAC2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol
SMILESCCC1c2c([nH]c(N)c2/C=C(\N)c2ccccc2O)CCN1C
InChIInChI=1S/C18H24N4O/c1-3-15-17-12(18(20)21-14(17)8-9-22(15)2)10-13(19)11-6-4-5-7-16(11)23/h4-7,10,15,21,23H,3,8-9,19-20H2,1-2H3/b13-10-
InChIKeyBSERWVWIVVIZKO-RAXLEYEMSA-N
MW312.42 g/mol
LogP2.70
Rot. Bonds3

About 2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol

2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol (PubChem CID 166458257) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol
PubChem CID166458257
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol
SMILESCCC1c2c([nH]c(N)c2/C=C(\N)c2ccccc2O)CCN1C
InChIInChI=1S/C18H24N4O/c1-3-15-17-12(18(20)21-14(17)8-9-22(15)2)10-13(19)11-6-4-5-7-16(11)23/h4-7,10,15,21,23H,3,8-9,19-20H2,1-2H3/b13-10-
InChIKeyBSERWVWIVVIZKO-RAXLEYEMSA-N
XLogP2.70
TPSA91.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(4S)-2-amino-4-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 167284551
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-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 170613236
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-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite
CID 170613889
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 4-[[4-[4-[2-amino-3-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]piperidin-1-yl]cyclohexyl]methyl]piperazine-1-carboxylate
CID 166459657
2-[(Z)-1-amino-2-[2-amino-4-methyl-5-(1-methylpyrrolidin-3-yl)-1H-pyrrol-3-yl]ethenyl]phenol;ethane;prop-2-enal
CID 177023703
2-[(Z)-1-amino-2-[2-amino-4-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(oxan-4-yl)-1H-pyrrol-3-yl]ethenyl]phenol
CID 177022750

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol?
The IUPAC name of 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) is 2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol.
What is the SMILES notation for 2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol?
The canonical SMILES for 2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol is CCC1c2c([nH]c(N)c2/C=C(\N)c2ccccc2O)CCN1C.
What is the InChIKey of 2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol?
The InChIKey is BSERWVWIVVIZKO-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-15-17-12(18(20)21-14(17)8-9-22(15)2)10-13(19)11-6-4-5-7-16(11)23/h4-7,10,15,21,23H,3,8-9,19-20H2,1-2H3/b13-10-.
What are the key properties of 2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol?
2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol has a molecular weight of 312.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-(2-amino-4-ethyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol is sourced from PubChem (CID 166458257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).