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

C24H34N4O3 — CID 177022750

IUPAC2-[(Z)-1-amino-2-[2-amino-4-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(oxan-4-yl)-1H-pyrrol-3-yl]ethenyl]phenol
SMILESC[C@@H](CN1CCOCC1)c1c(C2CCOCC2)[nH]c(N)c1/C=C(\N)c1ccccc1O
InChIInChI=1S/C24H34N4O3/c1-16(15-28-8-12-31-13-9-28)22-19(14-20(25)18-4-2-3-5-21(18)29)24(26)27-23(22)17-6-10-30-11-7-17/h2-5,14,16-17,27,29H,6-13,15,25-26H2,1H3/b20-14-/t16-/m0/s1
InChIKeyOHRLMSLYVMHLMR-IEOAWGNMSA-N
MW426.56 g/mol
LogP3.09
Rot. Bonds6

About 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

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 (PubChem CID 177022750) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-[2-amino-4-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(oxan-4-yl)-1H-pyrrol-3-yl]ethenyl]phenol
PubChem CID177022750
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name2-[(Z)-1-amino-2-[2-amino-4-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(oxan-4-yl)-1H-pyrrol-3-yl]ethenyl]phenol
SMILESC[C@@H](CN1CCOCC1)c1c(C2CCOCC2)[nH]c(N)c1/C=C(\N)c1ccccc1O
InChIInChI=1S/C24H34N4O3/c1-16(15-28-8-12-31-13-9-28)22-19(14-20(25)18-4-2-3-5-21(18)29)24(26)27-23(22)17-6-10-30-11-7-17/h2-5,14,16-17,27,29H,6-13,15,25-26H2,1H3/b20-14-/t16-/m0/s1
InChIKeyOHRLMSLYVMHLMR-IEOAWGNMSA-N
XLogP3.09
TPSA109.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[5-[5-amino-4-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-3-methyl-1H-pyrrol-2-yl]oxepan-3-yl]-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 177022915
2-[(Z)-1-amino-2-[2-amino-4-methyl-5-(3-methyloxan-4-yl)-1H-pyrrol-3-yl]ethenyl]phenol;prop-2-enamide
CID 177022755
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
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
N-[4-[5-amino-4-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-3-[1-(2-azaspiro[3.3]heptan-2-yl)propan-2-yl]-1H-pyrrol-2-yl]-1-hydroxyhexan-2-yl]-N-methylprop-2-enamide
CID 177023847
1-[7-[3-(2-hydroxyphenyl)-5-(1-morpholin-4-ylpropan-2-yl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]prop-2-en-1-one
CID 177023966
[2-(1-morpholin-4-ylpropan-2-yl)phenyl]methanamine
CID 115040341
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
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967
2-[(Z)-1-amino-2-[2-amino-5-(1-piperidin-4-ylpiperidin-4-yl)-1H-indol-3-yl]ethenyl]phenol
CID 166458442
2-[(Z)-1-amino-2-(2-amino-4-methyl-1H-pyrrol-3-yl)ethenyl]phenol;but-3-en-2-one;ethane;methylcyclobutane;N-methylmethanamine;oxane
CID 177024033
1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](CN1CCOCC1)c1c(C2CCOCC2)[nH]c(N)c1/C=C(\N)c1ccccc1O.
What is the InChIKey of 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?
The InChIKey is OHRLMSLYVMHLMR-IEOAWGNMSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-16(15-28-8-12-31-13-9-28)22-19(14-20(25)18-4-2-3-5-21(18)29)24(26)27-23(22)17-6-10-30-11-7-17/h2-5,14,16-17,27,29H,6-13,15,25-26H2,1H3/b20-14-/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 426.56 g/mol, XLogP of 3.09, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177022750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).