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

C20H27N5O — CID 166459136

IUPAC2-[(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
SMILESCC1c2c([nH]c(N)c2/C=C(\N)c2ccccc2O)CCN1C1CCNC1
InChIInChI=1S/C20H27N5O/c1-12-19-15(10-16(21)14-4-2-3-5-18(14)26)20(22)24-17(19)7-9-25(12)13-6-8-23-11-13/h2-5,10,12-13,23-24,26H,6-9,11,21-22H2,1H3/b16-10-
InChIKeyUFJKEWRPURXMTA-YBEGLDIGSA-N
MW353.47 g/mol
LogP2.04
Rot. Bonds3

About 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

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 (PubChem CID 166459136) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID166459136
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[(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
SMILESCC1c2c([nH]c(N)c2/C=C(\N)c2ccccc2O)CCN1C1CCNC1
InChIInChI=1S/C20H27N5O/c1-12-19-15(10-16(21)14-4-2-3-5-18(14)26)20(22)24-17(19)7-9-25(12)13-6-8-23-11-13/h2-5,10,12-13,23-24,26H,6-9,11,21-22H2,1H3/b16-10-
InChIKeyUFJKEWRPURXMTA-YBEGLDIGSA-N
XLogP2.04
TPSA103.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[(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-[(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-(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-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-4-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 170613236
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-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol
CID 166458442
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1c2c([nH]c(N)c2/C=C(\N)c2ccccc2O)CCN1C1CCNC1.
What is the InChIKey of 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?
The InChIKey is UFJKEWRPURXMTA-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H27N5O/c1-12-19-15(10-16(21)14-4-2-3-5-18(14)26)20(22)24-17(19)7-9-25(12)13-6-8-23-11-13/h2-5,10,12-13,23-24,26H,6-9,11,21-22H2,1H3/b16-10-.
What are the key properties of 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?
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 has a molecular weight of 353.47 g/mol, XLogP of 2.04, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166459136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).