1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol

C28H32N4O2 — CID 155016800

IUPAC1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(CC(Nc2ccc(-c3nccnc3N3CCOCC3)cc2)=C2CC2)cc1
InChIInChI=1S/C28H32N4O2/c1-20(33)18-21-2-4-22(5-3-21)19-26(23-6-7-23)31-25-10-8-24(9-11-25)27-28(30-13-12-29-27)32-14-16-34-17-15-32/h2-5,8-13,20,31,33H,6-7,14-19H2,1H3
InChIKeyHUHBNHQWBVAFRG-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.61
Rot. Bonds8

About 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol

1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol (PubChem CID 155016800) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol
PubChem CID155016800
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(CC(Nc2ccc(-c3nccnc3N3CCOCC3)cc2)=C2CC2)cc1
InChIInChI=1S/C28H32N4O2/c1-20(33)18-21-2-4-22(5-3-21)19-26(23-6-7-23)31-25-10-8-24(9-11-25)27-28(30-13-12-29-27)32-14-16-34-17-15-32/h2-5,8-13,20,31,33H,6-7,14-19H2,1H3
InChIKeyHUHBNHQWBVAFRG-UHFFFAOYSA-N
XLogP4.61
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol with MolForge

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Related Compounds

1-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-3-[4-(3-morpholin-4-ylpyrazin-2-yl)phenyl]propan-2-one
CID 159497289
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CID 83890121
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 159675177
4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 50848338
2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]phenyl]acetamide
CID 135306440
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine
CID 110979717
N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
CID 87373559
2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid
CID 120541058
1-methoxy-2-(4-morpholin-4-ylphenyl)ethanol
CID 141309869
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol (CID 155016800) is 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol is CC(O)Cc1ccc(CC(Nc2ccc(-c3nccnc3N3CCOCC3)cc2)=C2CC2)cc1.
What is the InChIKey of 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol?
The InChIKey is HUHBNHQWBVAFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-20(33)18-21-2-4-22(5-3-21)19-26(23-6-7-23)31-25-10-8-24(9-11-25)27-28(30-13-12-29-27)32-14-16-34-17-15-32/h2-5,8-13,20,31,33H,6-7,14-19H2,1H3.
What are the key properties of 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol?
1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol has a molecular weight of 456.59 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-cyclopropylidene-2-[4-(3-morpholin-4-ylpyrazin-2-yl)anilino]ethyl]phenyl]propan-2-ol is sourced from PubChem (CID 155016800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).