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

C17H20F2N4O — CID 170613821

IUPAC2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
SMILESCN1CCc2[nH]c(N)c(/C=C(\N)c3ccccc3O)c2C1C(F)F
InChIInChI=1S/C17H20F2N4O/c1-23-7-6-12-14(15(23)16(18)19)10(17(21)22-12)8-11(20)9-4-2-3-5-13(9)24/h2-5,8,15-16,22,24H,6-7,20-21H2,1H3/b11-8-
InChIKeyAKNXPROIDKMFNB-FLIBITNWSA-N
MW334.37 g/mol
LogP2.55
Rot. Bonds3

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

2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol (PubChem CID 170613821) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-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-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
PubChem CID170613821
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
SMILESCN1CCc2[nH]c(N)c(/C=C(\N)c3ccccc3O)c2C1C(F)F
InChIInChI=1S/C17H20F2N4O/c1-23-7-6-12-14(15(23)16(18)19)10(17(21)22-12)8-11(20)9-4-2-3-5-13(9)24/h2-5,8,15-16,22,24H,6-7,20-21H2,1H3/b11-8-
InChIKeyAKNXPROIDKMFNB-FLIBITNWSA-N
XLogP2.55
TPSA91.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(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-[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-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-(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
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
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-[2-amino-4-(difluoromethyl)-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-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol (CID 170613821) is 2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol is CN1CCc2[nH]c(N)c(/C=C(\N)c3ccccc3O)c2C1C(F)F.
What is the InChIKey of 2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?
The InChIKey is AKNXPROIDKMFNB-FLIBITNWSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-23-7-6-12-14(15(23)16(18)19)10(17(21)22-12)8-11(20)9-4-2-3-5-13(9)24/h2-5,8,15-16,22,24H,6-7,20-21H2,1H3/b11-8-.
What are the key properties of 2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?
2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol has a molecular weight of 334.37 g/mol, XLogP of 2.55, 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-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol is sourced from PubChem (CID 170613821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).